UCSF

ZINC34522205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.61 6.99 -37.85 2 2 1 16 241.786 7
Mid Mid (pH 6-8) 2.61 6.26 -37.89 2 2 1 20 241.786 7
Lo Low (pH 4.5-6) 2.61 8.34 -114.67 3 2 2 21 242.794 7

Activity (Go SEA)

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