UCSF

ZINC37010355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.58 -0.17 -57.01 4 5 1 85 285.389 4
Hi High (pH 8-9.5) 0.58 -0.57 -10.03 3 5 0 84 284.381 4

Activity (Go SEA)

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