UCSF

ZINC34462951

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) 4.42 11.06 -8.29 0 2 0 37 349.231 3
Lo Low (pH 4.5-6) 4.42 11.51 -47.61 1 2 1 38 350.239 3

Activity (Go SEA)

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