UCSF

ZINC00616054

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 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) 3.01 8.17 -8.4 0 2 0 16 216.309 1
Lo Low (pH 4.5-6) 3.01 8.1 -24.13 1 2 1 17 217.317 1

Activity (Go SEA)

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