UCSF

ZINC37266951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) -2.25 -1.12 -92.41 6 6 2 90 230.312 4
Hi High (pH 8-9.5) -2.07 -2.4 -84.74 5 6 1 97 229.304 4

Activity (Go SEA)

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