UCSF

ZINC44725550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.18 4.12 -32.91 2 4 1 35 245.387 9
Mid Mid (pH 6-8) 1.18 5.3 -100.74 3 4 2 40 246.395 9
Mid Mid (pH 6-8) 1.18 2.99 -38.66 2 4 1 38 245.387 9

Activity (Go SEA)

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