UCSF

ZINC08845817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 25 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) 2.62 3.83 -12.64 3 6 0 89 335.363 3
Mid Mid (pH 6-8) 2.62 4.6 -53.47 2 6 -1 92 334.355 3

Activity (Go SEA)

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