UCSF

ZINC34871511

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 3.92 10.07 -67.14 2 6 0 82 485.556 7
Hi High (pH 8-9.5) 3.92 7.83 -47.68 1 6 -1 81 484.548 7
Mid Mid (pH 6-8) 3.92 10.06 -49.17 3 6 1 80 486.564 7

Activity (Go SEA)

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