UCSF

ZINC27076864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 23 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) 5.58 8.75 -10.79 1 3 0 50 308.377 3
Mid Mid (pH 6-8) 5.58 9.54 -46.35 0 3 -1 53 307.369 3

Activity (Go SEA)

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