UCSF

ZINC42428171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.66 4.81 -127.02 4 3 2 45 221.348 5
Mid Mid (pH 6-8) 0.66 2.65 -49.31 3 3 1 44 220.34 5
Lo Low (pH 4.5-6) 0.66 3.11 -88.27 4 3 2 45 221.348 5

Activity (Go SEA)

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