UCSF

ZINC32210668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 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) 0.48 2.6 -43.25 1 3 -1 60 157.189 2
Lo Low (pH 4.5-6) 0.48 1.13 -7.5 2 3 0 58 158.197 2

Activity (Go SEA)

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