UCSF

ZINC23280594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 4.29 9.71 -36.95 1 2 1 8 273.444 3
Mid Mid (pH 6-8) 4.29 7.47 -2.13 0 2 0 6 272.436 3

Activity (Go SEA)

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