UCSF

ZINC49982678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 24 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) 1.89 4.25 -46.96 1 6 1 52 330.408 4
Mid Mid (pH 6-8) 1.89 4.27 -40.26 1 6 1 52 330.408 4
Mid Mid (pH 6-8) 1.89 2 -10.08 0 6 0 51 329.4 4

Activity (Go SEA)

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