UCSF

ZINC53156116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.53 4.7 -107.54 4 3 2 41 244.766 6
Hi High (pH 8-9.5) 1.53 3.35 -36.18 3 3 1 37 243.758 6
Mid Mid (pH 6-8) 1.53 2.19 -44.85 3 3 1 40 243.758 6

Activity (Go SEA)

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