UCSF

ZINC37857778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 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) 1.67 5.88 -12.2 0 6 0 68 371.396 3
Mid Mid (pH 6-8) 1.67 8.72 -56.9 1 6 1 70 372.404 3
Lo Low (pH 4.5-6) 1.67 9.2 -94.42 2 6 2 71 373.412 3

Activity (Go SEA)

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