UCSF

ZINC37000414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 4.52 7.05 -4.13 2 2 0 32 334.257 5
Mid Mid (pH 6-8) 4.52 7.93 -42.63 3 2 1 37 335.265 5

Activity (Go SEA)

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