UCSF

ZINC37111221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.26 7.04 -111.05 4 3 2 35 291.483 7
Hi High (pH 8-9.5) 2.26 6.67 -35.01 3 3 1 34 290.475 7
Mid Mid (pH 6-8) 2.26 4.65 -1.43 2 3 0 32 289.467 7
Mid Mid (pH 6-8) 2.26 5.88 -120.68 4 3 2 35 291.483 7
Mid Mid (pH 6-8) 2.26 5.53 -31.74 3 3 1 34 290.475 7

Activity (Go SEA)

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