UCSF

ZINC42579493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 2.50 3.46 -39.97 3 2 1 31 215.405 6
Mid Mid (pH 6-8) 2.50 6.13 -23.7 3 2 1 30 215.405 6
Mid Mid (pH 6-8) 2.50 5.93 -104.03 4 2 2 32 216.413 6

Activity (Go SEA)

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