UCSF

ZINC38610097

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 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) 1.64 4.59 -27.94 4 9 0 134 455.474 7
Mid Mid (pH 6-8) 1.64 5.35 -67.97 3 9 -1 137 454.466 7
Lo Low (pH 4.5-6) 1.64 5.05 -49.96 5 9 1 136 456.482 7

Activity (Go SEA)

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