UCSF

ZINC43358175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 27 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 11.18 -35.95 2 6 1 63 368.505 3
Mid Mid (pH 6-8) 2.93 10.7 -12.86 1 6 0 61 367.497 3

Activity (Go SEA)

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