UCSF

ZINC42470168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.45 6.11 -118.91 4 2 2 32 238.4 4
Hi High (pH 8-9.5) 1.45 3.95 -1.6 2 2 0 29 236.384 4
Mid Mid (pH 6-8) 1.45 6.05 -30.11 3 2 1 30 237.392 4
Mid Mid (pH 6-8) 1.45 4.09 -46.24 3 2 1 31 237.392 4

Activity (Go SEA)

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