UCSF

ZINC09707595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 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) 2.08 2.61 -24.4 1 7 0 102 343.364 4
Mid Mid (pH 6-8) 2.15 1.18 -56.41 0 7 -1 108 342.356 4

Activity (Go SEA)

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