UCSF

ZINC53653455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.03 4.32 -36.61 2 4 1 38 257.398 7
Hi High (pH 8-9.5) 1.03 3.67 -3.05 1 4 0 34 256.39 7
Mid Mid (pH 6-8) 1.03 6.18 -107.88 3 4 2 40 258.406 7
Mid Mid (pH 6-8) 1.03 5.84 -26.58 2 4 1 35 257.398 7

Activity (Go SEA)

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