UCSF

ZINC42462437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.29 3.87 -44.03 0 4 -1 53 214.285 5
Mid Mid (pH 6-8) 1.29 5.98 -56.19 1 4 0 54 215.293 5
Lo Low (pH 4.5-6) 1.29 4 -37.79 2 4 1 51 216.301 5

Activity (Go SEA)

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