UCSF

ZINC01279727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 21 No

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) 3.38 5.15 -9.05 2 5 0 70 299.355 2
Mid Mid (pH 6-8) 2.89 4.7 -43.88 1 5 -1 69 298.347 3

Activity (Go SEA)

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