UCSF

ZINC52541985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 2.90 7.8 -37.71 2 2 1 20 267.462 8
Mid Mid (pH 6-8) 2.90 9.44 -101.8 3 2 2 21 268.47 8

Activity (Go SEA)

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