UCSF

ZINC53653619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.54 5.11 -36.83 2 4 1 38 271.425 7
Hi High (pH 8-9.5) 1.54 4.41 -2.59 1 4 0 34 270.417 7
Mid Mid (pH 6-8) 1.54 6.67 -27.21 2 4 1 35 271.425 7
Mid Mid (pH 6-8) 1.54 6.94 -109.65 3 4 2 40 272.433 7

Activity (Go SEA)

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