UCSF

ZINC45665726

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.89 5.94 -114.16 4 3 2 35 287.398 8
Hi High (pH 8-9.5) 1.89 3.47 -44.65 3 3 1 34 286.39 8

Activity (Go SEA)

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