UCSF

ZINC44677407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.22 7.02 -36.61 2 2 1 20 231.363 3
Mid Mid (pH 6-8) 2.22 7.28 -30.54 2 2 1 16 231.363 3
Lo Low (pH 4.5-6) 2.22 8.53 -96.59 3 2 2 21 232.371 3

Activity (Go SEA)

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