UCSF

ZINC39914244

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.95 10.58 -12.02 2 7 0 88 498.023 9
Mid Mid (pH 6-8) 5.95 11.35 -49.19 1 7 -1 91 497.015 9

Activity (Go SEA)

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