UCSF

ZINC45684889

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.72 6.3 -45.15 3 3 1 40 291.459 4
Hi High (pH 8-9.5) 1.72 5.66 -2.43 2 3 0 38 290.451 4
Lo Low (pH 4.5-6) 1.72 7.78 -120.16 4 3 2 41 292.467 4

Activity (Go SEA)

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