UCSF

ZINC45201133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 1.85 5.5 -38.17 3 3 1 45 290.358 5
Hi High (pH 8-9.5) 1.85 3.26 -5.6 2 3 0 44 289.35 5

Activity (Go SEA)

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