UCSF

ZINC12957017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 17 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) 1.92 4.56 -54.06 2 4 1 52 231.275 2
Mid Mid (pH 6-8) 1.92 3.17 -8.37 1 4 0 47 230.267 2

Activity (Go SEA)

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