UCSF

ZINC05887679

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 21 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) 2.28 7.86 -50.94 1 6 -1 96 318.415 13
Hi High (pH 8-9.5) 2.28 8.4 -102.99 1 6 -2 96 317.407 13
Lo Low (pH 4.5-6) 2.28 5.88 -12 2 6 0 93 319.423 13

Activity (Go SEA)

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