UCSF

ZINC23386766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 22 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) 2.27 3.48 -36.19 3 4 1 48 299.394 4
Mid Mid (pH 6-8) 2.27 2.9 -6.92 2 4 0 47 298.386 4
Lo Low (pH 4.5-6) 2.27 5.2 -44.58 3 4 1 48 299.394 4

Activity (Go SEA)

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