UCSF

ZINC52542340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 2.77 6.68 -30.32 2 3 1 29 257.442 9
Hi High (pH 8-9.5) 2.77 5.84 -0.81 1 3 0 24 256.434 9
Hi High (pH 8-9.5) 2.77 5.88 -26.03 2 3 1 26 257.442 9
Mid Mid (pH 6-8) 2.77 7.12 -98.99 3 3 2 30 258.45 9

Activity (Go SEA)

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