UCSF

ZINC38277416

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 30 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) 3.67 9.65 -57.97 0 6 -1 83 406.458 7
Mid Mid (pH 6-8) 3.67 8.91 -11.9 1 6 0 80 407.466 7

Activity (Go SEA)

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