UCSF

ZINC00335704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

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) -0.80 -3.31 -11.4 4 5 0 94 152.157 1
Lo Low (pH 4.5-6) -0.80 -5.01 -34.8 5 5 1 96 153.165 1

Activity (Go SEA)

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