UCSF

ZINC36996757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 2.35 4.81 -31.77 2 2 1 20 197.346 3
Lo Low (pH 4.5-6) 2.35 7.06 -100.83 3 2 2 21 198.354 3

Activity (Go SEA)

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