UCSF

ZINC37140530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 1.26 4.3 -112.81 5 5 2 73 293.411 6
Hi High (pH 8-9.5) 1.26 2.1 -44.61 4 5 1 72 292.403 6
Hi High (pH 8-9.5) 1.26 3.36 -42.2 4 5 1 69 292.403 6

Activity (Go SEA)

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