UCSF

ZINC04270156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 22 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) 0.95 4.75 -16.17 1 7 0 90 323.374 3
Mid Mid (pH 6-8) 0.95 4.75 -51.69 0 7 -1 92 322.366 3

Activity (Go SEA)

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