UCSF

ZINC34875293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 30 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) 4.67 12.44 -90.67 4 6 2 69 409.578 11
Hi High (pH 8-9.5) 4.54 9.43 -13.93 2 6 0 69 407.562 10
Mid Mid (pH 6-8) 4.54 11.53 -57.77 3 6 1 70 408.57 10
Lo Low (pH 4.5-6) 4.67 12.9 -173.63 5 6 3 70 410.586 11
Lo Low (pH 4.5-6) 4.67 12.96 -107.26 4 6 2 69 409.578 11

Activity (Go SEA)

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