UCSF

ZINC19790040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 29 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) 4.66 11.48 -29.15 1 4 1 34 389.498 4
Mid Mid (pH 6-8) 4.66 13.8 -89.78 2 4 2 35 390.506 4
Mid Mid (pH 6-8) 4.66 11.19 -9.63 0 4 0 32 388.49 4

Activity (Go SEA)

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