UCSF

ZINC60699015

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 1.73 6.62 -67.05 3 2 1 37 300.275 4
Mid Mid (pH 6-8) 1.73 6.29 -10.41 2 2 0 35 299.267 4

Activity (Go SEA)

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