UCSF

ZINC34912488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 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) 2.63 7.83 -29.84 3 5 1 63 284.339 3
Mid Mid (pH 6-8) 2.63 7.42 -13.5 2 5 0 62 283.331 3

Activity (Go SEA)

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