UCSF

ZINC34853911

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 4.61 6.08 -15.74 2 6 0 92 450.969 7
Hi High (pH 8-9.5) 4.61 6.12 -53.02 1 6 -1 94 449.961 7
Mid Mid (pH 6-8) 4.61 6.23 -47.5 1 6 -1 94 449.961 7

Activity (Go SEA)

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