UCSF

ZINC60704491

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) 2.93 9.94 -44.11 3 1 1 28 280.366 3
Mid Mid (pH 6-8) 2.93 9.75 -5.5 2 1 0 26 279.358 3

Activity (Go SEA)

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