UCSF

ZINC02586178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.18 1.26 -40.14 4 4 0 88 199.181 3
Mid Mid (pH 6-8) -1.18 2.01 -69.89 3 4 -1 91 198.173 3

Activity (Go SEA)

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