UCSF

ZINC37000701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 No

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) 0.68 1.08 -46.96 4 7 1 112 226.212 4
Hi High (pH 8-9.5) 0.68 -0.36 -8.53 3 7 0 107 225.204 4

Activity (Go SEA)

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