UCSF

ZINC32012529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.28 4.29 -40.12 3 2 1 37 212.288 5
Hi High (pH 8-9.5) 2.28 3.03 -4.92 2 2 0 32 211.28 5

Activity (Go SEA)

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