UCSF

ZINC34572329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 2.89 2.36 -35.15 5 4 1 69 287.383 7
Mid Mid (pH 6-8) 2.89 2.48 -36.91 5 4 1 69 287.383 7
Mid Mid (pH 6-8) 2.89 3.63 -118.16 6 4 2 74 288.391 7

Activity (Go SEA)

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