UCSF

ZINC63119580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 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) 1.13 7.54 -165.12 5 4 3 49 265.425 4
Hi High (pH 8-9.5) 1.13 7.07 -31.47 3 4 1 47 263.409 4
Hi High (pH 8-9.5) 1.13 7.16 -78.72 4 4 2 48 264.417 4
Mid Mid (pH 6-8) 1.13 7.4 -85.47 4 4 2 48 264.417 4

Activity (Go SEA)

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