UCSF

ZINC22925843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 3.67 14.18 -51.87 1 6 1 45 432.592 5
Hi High (pH 8-9.5) 3.67 11.95 -15.73 0 6 0 44 431.584 5
Mid Mid (pH 6-8) 3.67 14.6 -84.6 2 6 2 47 433.6 5
Mid Mid (pH 6-8) 3.67 12.13 -30.43 1 6 1 45 432.592 5
Lo Low (pH 4.5-6) 3.67 13.57 -94.6 2 6 2 47 433.6 5

Activity (Go SEA)

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