UCSF

ZINC59386460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 15 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) 1.15 4.4 -31.57 1 3 1 17 213.345 4
Hi High (pH 8-9.5) 1.15 2 -2.62 0 3 0 16 212.337 4
Lo Low (pH 4.5-6) 1.15 6.67 -96.67 2 3 2 18 214.353 4

Activity (Go SEA)

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