UCSF

ZINC36732466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 10 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) 1.04 1.38 -5.21 2 3 0 48 158.226 3
Lo Low (pH 4.5-6) 1.04 1.84 -26.5 3 3 1 49 159.234 3

Activity (Go SEA)

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