UCSF

ZINC19368991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 0.34 0.53 -118.88 6 4 2 74 220.357 11
Hi High (pH 8-9.5) 0.34 0.16 -39.12 5 4 1 72 219.349 11

Activity (Go SEA)

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