UCSF

ZINC40465486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 24 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) 3.81 8.47 -10.15 1 3 0 32 313.404 2
Mid Mid (pH 6-8) 3.81 10.71 -53.16 2 3 1 33 314.412 2

Activity (Go SEA)

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