UCSF

ZINC00417886

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.25 0.25 -11.17 1 4 0 38 321.424 4
Mid Mid (pH 6-8) 4.25 0.43 -26.24 2 4 1 39 322.432 4

Activity (Go SEA)

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