UCSF

ZINC45685329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.12 3.09 -1.6 2 3 0 38 212.337 1
Mid Mid (pH 6-8) 1.12 4.76 -118.09 4 3 2 41 214.353 1
Lo Low (pH 4.5-6) 1.12 4.53 -29.48 3 3 1 40 213.345 1

Activity (Go SEA)

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