UCSF

ZINC34721330

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 38 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) 8.76 19.23 -25.55 2 5 1 57 506.67 8
Mid Mid (pH 6-8) 8.76 19.88 -18.72 1 5 0 56 505.662 8
Mid Mid (pH 6-8) 8.76 19.8 -37.69 2 5 1 60 506.67 8
Lo Low (pH 4.5-6) 8.76 19.7 -82.58 3 5 2 61 507.678 8

Activity (Go SEA)

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