UCSF

ZINC05155093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 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) 2.15 3.35 -15.67 2 6 0 88 336.32 5
Hi High (pH 8-9.5) 2.79 0.22 -93.04 0 6 -2 97 334.304 5
Mid Mid (pH 6-8) 2.60 1.45 -43.67 1 6 -1 91 335.312 5

Activity (Go SEA)

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