UCSF

ZINC44679295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 0.91 2.19 -57.28 4 5 1 83 311.427 7
Hi High (pH 8-9.5) 0.91 1.78 -11.35 3 5 0 81 310.419 7

Activity (Go SEA)

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