UCSF

ZINC22586782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 17 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) 2.04 4.89 -39.11 2 3 1 28 237.367 7
Hi High (pH 8-9.5) 2.04 5.68 -59.63 1 3 0 31 236.359 7
Mid Mid (pH 6-8) 2.04 4.71 -36.57 2 3 1 28 237.367 7

Activity (Go SEA)

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