UCSF

ZINC34225144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 31 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) 4.34 13.15 -87.27 2 4 2 15 422.661 8
Hi High (pH 8-9.5) 4.34 8.85 -3.02 0 4 0 13 420.645 8
Mid Mid (pH 6-8) 4.34 11.09 -36.96 1 4 1 14 421.653 8
Mid Mid (pH 6-8) 4.34 13.35 -108.55 2 4 2 15 422.661 8

Activity (Go SEA)

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