UCSF

ZINC34451098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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 6.19 -6.9 1 2 0 36 202.301 5
Mid Mid (pH 6-8) 2.89 7.34 -46.44 2 2 1 40 203.309 5

Activity (Go SEA)

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