UCSF

ZINC37619046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) 2.18 4.82 -43.71 4 3 1 57 235.351 6
Mid Mid (pH 6-8) 2.18 4.53 -5.81 3 3 0 55 234.343 6

Activity (Go SEA)

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