UCSF

ZINC34549162

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 1.15 6.47 -10.62 0 4 0 33 262.353 3
Mid Mid (pH 6-8) 1.15 7.26 -25.21 1 4 0 34 263.361 3

Activity (Go SEA)

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