UCSF

ZINC02029973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 2.06 -1.95 -9.13 2 7 0 84 327.388 6
Mid Mid (pH 6-8) -1.68 -1.74 -40.37 3 7 1 86 328.396 6

Activity (Go SEA)

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