UCSF

ZINC45689995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.01 7.78 -35.56 2 2 1 20 235.395 8
Hi High (pH 8-9.5) 3.01 6.67 -1.41 1 2 0 15 234.387 8
Mid Mid (pH 6-8) 3.01 8.29 -33.13 2 2 1 16 235.395 8
Mid Mid (pH 6-8) 3.01 9.47 -114.9 3 2 2 21 236.403 8

Activity (Go SEA)

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