UCSF

ZINC34549404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 4.23 5.67 -11.04 1 3 0 42 357.4 3
Lo Low (pH 4.5-6) 4.23 7 -28.83 2 3 1 43 358.408 3

Activity (Go SEA)

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