UCSF

ZINC37140593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) -0.96 -2.4 -60.54 4 6 1 97 290.409 4
Hi High (pH 8-9.5) -0.96 -3.44 -16.88 3 6 0 93 289.401 4
Lo Low (pH 4.5-6) -0.96 -0.21 -131.48 5 6 2 98 291.417 4

Activity (Go SEA)

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