UCSF

ZINC04097698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

CAS Number: 3260-50-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 -4.29 -14.64 5 7 0 131 302.238 1
Hi High (pH 8-9.5) 1.18 -3.51 -45.8 4 7 -1 134 301.23 1
Hi High (pH 8-9.5) 1.18 -3.51 -54.69 4 7 -1 134 301.23 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )