UCSF

ZINC32355438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 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) 0.20 0.19 -20.67 3 7 0 104 313.379 5
Hi High (pH 8-9.5) 0.20 0.24 -46.99 2 7 -1 106 312.371 5

Activity (Go SEA)

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