UCSF

ZINC21638007

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.78 9.3 -46.38 2 6 1 63 340.451 3
Mid Mid (pH 6-8) 2.78 6.83 -10.58 1 6 0 61 339.443 3

Activity (Go SEA)

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