UCSF

ZINC42871065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.71 0.19 -12.13 1 6 0 83 305.406 4
Mid Mid (pH 6-8) 1.16 -2.05 -47 0 6 -1 86 304.398 4

Activity (Go SEA)

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