UCSF

ZINC34678375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 2.93 9.84 -44.73 1 8 1 60 489.644 7
Mid Mid (pH 6-8) 2.93 9.86 -48.37 1 8 1 60 489.644 7
Mid Mid (pH 6-8) 2.93 7.57 -9.79 0 8 0 59 488.636 7

Activity (Go SEA)

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