UCSF

ZINC43425658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.70 0.82 -35.6 4 4 1 64 212.317 4
Mid Mid (pH 6-8) 0.70 3.04 -96.68 5 4 2 65 213.325 4

Activity (Go SEA)

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