UCSF

ZINC32006583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 0.90 4.43 -102.28 4 2 2 32 172.316 3
Hi High (pH 8-9.5) 0.90 2.21 -43.36 3 2 1 31 171.308 3

Activity (Go SEA)

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