UCSF

ZINC37417821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.20 1.95 -54.04 2 7 -1 119 321.4 9
Mid Mid (pH 6-8) 1.65 -0.35 -94.18 1 7 -2 122 320.392 9
Lo Low (pH 4.5-6) 1.20 -0.03 -16.05 3 7 0 116 322.408 9

Activity (Go SEA)

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