UCSF

ZINC34820290

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 32 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) 5.20 12.52 -59.37 1 7 -1 100 422.42 5
Mid Mid (pH 6-8) 5.66 11.22 -117.79 0 7 -2 103 421.412 5

Activity (Go SEA)

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