UCSF

ZINC36719560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 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) 3.86 10.67 -10.79 1 5 0 56 367.493 6
Mid Mid (pH 6-8) 3.86 11.34 -38.65 2 5 1 57 368.501 6

Activity (Go SEA)

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