UCSF

ZINC35776366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) 0.35 0.11 -33.69 4 4 1 64 186.279 3
Mid Mid (pH 6-8) 0.35 2.04 -98.67 5 4 2 65 187.287 3

Activity (Go SEA)

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