UCSF

ZINC28182775

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 No

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) 3.37 7.53 -13.78 1 6 0 68 404.466 4
Mid Mid (pH 6-8) 3.37 8.16 -44.04 0 6 -1 71 403.458 4
Lo Low (pH 4.5-6) 3.37 9.88 -58.73 2 6 1 69 405.474 4

Activity (Go SEA)

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