UCSF

ZINC45655184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 1.51 5.91 -36.41 2 4 1 37 268.425 4
Mid Mid (pH 6-8) 1.51 4.61 -37.95 2 4 1 40 268.425 4
Lo Low (pH 4.5-6) 1.51 6.93 -108.63 3 4 2 41 269.433 4

Activity (Go SEA)

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