UCSF

ZINC34881266

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 23 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) 1.43 4.03 -10.1 2 7 0 92 398.286 3
Mid Mid (pH 6-8) 1.43 4.33 -38.64 3 7 1 94 399.294 3

Activity (Go SEA)

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