UCSF

ZINC45665880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.04 6.48 -102.39 4 3 2 35 271.493 7
Hi High (pH 8-9.5) 3.04 4.02 -46.45 3 3 1 34 270.485 7
Lo Low (pH 4.5-6) 3.04 7.5 -215.31 5 3 3 37 272.501 7

Activity (Go SEA)

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