UCSF

ZINC32005705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.38 0.22 -42.79 3 3 1 50 153.205 3
Hi High (pH 8-9.5) -0.38 -1.26 -5.3 2 3 0 45 152.197 3
Lo Low (pH 4.5-6) -0.38 0.65 -89.63 4 3 2 51 154.213 3

Activity (Go SEA)

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