UCSF

ZINC15423643

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 20 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) 0.70 3.15 -16.07 2 7 0 101 315.376 7
Mid Mid (pH 6-8) 0.70 3.66 -45.17 3 7 1 102 316.384 7
Mid Mid (pH 6-8) 0.70 3.17 -16.46 2 7 0 101 315.376 7

Activity (Go SEA)

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