UCSF

ZINC19781912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 3.30 9.38 -38.42 2 3 1 23 324.423 4
Mid Mid (pH 6-8) 3.30 9.37 -36.05 2 3 1 23 324.423 4
Mid Mid (pH 6-8) 3.30 6.99 -7.8 1 3 0 22 323.415 4

Activity (Go SEA)

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