UCSF

ZINC19499939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 2.98 7.79 -33.36 1 2 1 8 251.369 4
Mid Mid (pH 6-8) 2.98 8.13 -38.63 1 2 1 8 251.369 4
Mid Mid (pH 6-8) 2.98 5.81 -2.68 0 2 0 6 250.361 4

Activity (Go SEA)

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