UCSF

ZINC01812720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 19 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) 3.91 10.11 -28.87 1 3 1 28 253.325 4
Mid Mid (pH 6-8) 3.91 9.67 -11.07 0 3 0 27 252.317 4

Activity (Go SEA)

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