UCSF

ZINC12032514

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 No

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) 5.47 8.96 -8.04 1 3 0 45 308.406 2
Mid Mid (pH 6-8) 4.98 8.81 -45.56 0 3 -1 44 307.398 3

Activity (Go SEA)

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