UCSF

ZINC42455931

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) -0.91 1.65 -108.33 5 5 2 64 216.329 6
Hi High (pH 8-9.5) -0.91 1.28 -40.45 4 5 1 63 215.321 6
Mid Mid (pH 6-8) -0.91 -0.4 -50.48 4 5 1 63 215.321 6

Activity (Go SEA)

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