UCSF

ZINC34678018

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) 4.09 8.88 -44.65 2 6 1 63 487.546 8
Mid Mid (pH 6-8) 4.09 8.92 -45.94 2 6 1 63 487.546 8
Mid Mid (pH 6-8) 4.09 6.62 -8.88 1 6 0 62 486.538 8

Activity (Go SEA)

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