UCSF

ZINC13479558

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 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) 0.46 4 -41.13 2 5 1 53 289.403 3
Hi High (pH 8-9.5) 0.46 2.67 -9 1 5 0 48 288.395 3
Mid Mid (pH 6-8) 0.46 4.4 -82.86 3 5 2 54 290.411 3
Lo Low (pH 4.5-6) 0.46 6.51 -182.35 4 5 3 55 291.419 3

Activity (Go SEA)

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