UCSF

ZINC11914462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 27 No

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) 4.38 0.99 -9.8 1 4 0 58 367.42 6
Mid Mid (pH 6-8) 3.80 0.88 -15.67 0 4 0 54 367.42 6

Activity (Go SEA)

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