UCSF

ZINC40786439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) -3.31 -1.94 -342.72 2 13 -4 215 383.146 6
Mid Mid (pH 6-8) -3.31 -3.1 -221.78 3 13 -3 212 384.154 6
Mid Mid (pH 6-8) -3.31 -3.09 -216.91 3 13 -3 212 384.154 6
Lo Low (pH 4.5-6) -3.31 -4.24 -111.31 4 13 -2 209 385.162 6

Activity (Go SEA)

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