UCSF

ZINC36678582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.32 1.04 -101.2 6 4 2 76 201.314 4
Mid Mid (pH 6-8) -2.97 1.28 -28.2 6 4 1 76 200.306 4

Activity (Go SEA)

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