UCSF

ZINC20128163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.63 8.01 -48.06 2 5 1 47 274.392 5
Mid Mid (pH 6-8) 1.63 6.94 -57.07 2 5 1 50 274.392 5
Lo Low (pH 4.5-6) 1.63 9.29 -124.53 3 5 2 51 275.4 5

Activity (Go SEA)

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