UCSF

ZINC34676330

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 0.92 5.54 -27.06 1 10 0 100 486.548 8
Mid Mid (pH 6-8) 0.92 7.82 -59.04 2 10 1 101 487.556 8

Activity (Go SEA)

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