UCSF

ZINC02091227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 26 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) 3.09 -1.65 -52.09 2 5 1 51 370.498 5
Mid Mid (pH 6-8) 3.09 -1.5 -104.71 3 5 2 52 371.506 5

Activity (Go SEA)

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