UCSF

ZINC37109801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.43 5.19 -131.45 4 4 2 51 286.803 5
Mid Mid (pH 6-8) 2.43 2.93 -50.68 3 4 1 49 285.795 5
Mid Mid (pH 6-8) 2.43 5.1 -35.04 3 4 1 49 285.795 5

Activity (Go SEA)

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