UCSF

ZINC44625046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) -1.98 0.91 -66.71 5 7 0 129 296.323 6
Mid Mid (pH 6-8) -1.98 0.7 -49.66 4 7 -1 127 295.315 6

Activity (Go SEA)

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