UCSF

ZINC40404620

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 33 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) 3.14 15.51 -60.96 0 6 -1 81 446.454 8
Mid Mid (pH 6-8) 3.14 14.65 -24.27 1 6 0 84 447.462 8

Activity (Go SEA)

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