UCSF

ZINC40639304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 27 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) -0.12 10.54 -98.8 1 7 0 79 375.4 4
Mid Mid (pH 6-8) -2.87 9.3 -75.27 2 7 1 82 376.408 3
Mid Mid (pH 6-8) -0.12 8.19 -62.69 0 7 -1 78 374.392 4

Activity (Go SEA)

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