UCSF

ZINC32009180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.65 4.7 -41.2 2 2 1 26 196.245 1
Hi High (pH 8-9.5) 1.65 3.28 -4.65 1 2 0 21 195.237 1

Activity (Go SEA)

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