UCSF

ZINC21640091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 1.53 9.65 -38.55 1 6 1 50 339.467 4
Mid Mid (pH 6-8) 1.53 7.43 -8.17 0 6 0 48 338.459 4
Mid Mid (pH 6-8) 1.53 9.73 -76.66 2 6 2 51 340.475 4
Lo Low (pH 4.5-6) 1.53 10.05 -149.15 3 6 3 52 341.483 4
Lo Low (pH 4.5-6) 1.53 10.01 -146.36 3 6 3 52 341.483 4

Activity (Go SEA)

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