UCSF

ZINC44725352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) -0.76 -1.49 -49.33 4 6 1 86 254.376 9
Hi High (pH 8-9.5) -0.76 -1.6 -60.99 3 6 0 88 253.368 9

Activity (Go SEA)

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