UCSF

ZINC20128162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.93 8.39 -47.5 2 5 1 47 288.419 5
Mid Mid (pH 6-8) 1.93 7.42 -56.81 2 5 1 50 288.419 5
Lo Low (pH 4.5-6) 1.93 9.68 -124.99 3 5 2 51 289.427 5

Activity (Go SEA)

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