UCSF

ZINC36667220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.49 4.13 -4.3 2 3 0 48 220.659 2
Mid Mid (pH 6-8) 2.49 4.59 -37.67 3 3 1 49 221.667 2

Activity (Go SEA)

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