UCSF

ZINC37869832

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.21 1.57 -37.4 4 4 1 69 274.138 4
Mid Mid (pH 6-8) 1.21 0.68 -7.12 3 4 0 64 273.13 4

Activity (Go SEA)

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