UCSF

ZINC05409786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 13 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) 1.96 7.04 -38.62 2 1 1 17 172.251 3
Mid Mid (pH 6-8) 1.96 5.71 -3.27 1 1 0 12 171.243 3

Activity (Go SEA)

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