UCSF

ZINC37819827

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.64 4.68 -46.08 3 4 1 61 316.219 3
Mid Mid (pH 6-8) 2.64 4.39 -5.62 2 4 0 59 315.211 3

Activity (Go SEA)

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