UCSF

ZINC34078500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 15 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) 2.29 7.37 -8.94 0 2 0 30 203.285 3
Lo Low (pH 4.5-6) 2.29 7.83 -34.53 1 2 1 31 204.293 3

Activity (Go SEA)

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