UCSF

ZINC13914707

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 24 No

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) 2.70 7.09 -58.53 1 6 -1 95 321.312 3
Hi High (pH 8-9.5) 2.70 7.48 -95.48 0 6 -2 98 320.304 3
Hi High (pH 8-9.5) 2.70 7.86 -96.24 0 6 -2 98 320.304 3

Activity (Go SEA)

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