UCSF

ZINC37095822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.89 5.68 -128.27 4 3 2 41 288.382 8
Mid Mid (pH 6-8) 2.89 4.53 -46.57 3 3 1 40 287.374 8
Mid Mid (pH 6-8) 2.89 5.29 -32.64 3 3 1 40 287.374 8

Activity (Go SEA)

Rings

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