UCSF

ZINC41721026

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 4.64 9.27 -30.38 2 2 1 26 283.782 3
Hi High (pH 8-9.5) 4.64 8.84 -7.57 1 2 0 25 282.774 3

Activity (Go SEA)

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