UCSF

ZINC09634256

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 36 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) 3.25 3.15 -18.81 0 10 0 106 496.495 11
Mid Mid (pH 6-8) 3.25 3.5 -59.56 1 10 1 107 497.503 11

Activity (Go SEA)

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