UCSF

ZINC36708041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 20 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) 1.57 5.3 -13.4 2 6 0 70 279.388 8
Mid Mid (pH 6-8) 1.57 5.78 -34.48 3 6 1 71 280.396 8
Lo Low (pH 4.5-6) 1.57 5.64 -34.08 3 6 1 71 280.396 8

Activity (Go SEA)

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