UCSF

ZINC34626594

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 1.22 5.41 -84.45 4 4 2 48 279.428 4
Mid Mid (pH 6-8) 1.22 7.35 -85.77 4 4 2 48 279.428 4
Mid Mid (pH 6-8) 1.22 7.67 -169.04 5 4 3 50 280.436 4

Activity (Go SEA)

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