UCSF

ZINC36878664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.94 5.89 -37.41 3 3 1 46 245.346 2
Hi High (pH 8-9.5) 1.94 4.53 -8.1 2 3 0 41 244.338 2

Activity (Go SEA)

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