UCSF

ZINC42449998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.08 6.43 -114.87 3 3 2 34 210.321 4
Mid Mid (pH 6-8) 1.08 3.97 -36.1 2 3 1 33 209.313 4
Mid Mid (pH 6-8) 1.08 5.07 -35.23 2 3 1 30 209.313 4

Activity (Go SEA)

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