UCSF

ZINC36984996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 2.14 5.83 -6.26 0 2 0 27 206.314 2
Mid Mid (pH 6-8) 2.14 7.72 -48.97 1 2 1 28 207.322 2

Activity (Go SEA)

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