UCSF

ZINC37096983

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) 2.01 7.45 -109 4 3 2 35 289.467 7
Hi High (pH 8-9.5) 2.01 6.54 -35.8 3 3 1 34 288.459 7
Mid Mid (pH 6-8) 2.01 7.55 -120.94 4 3 2 35 289.467 7
Mid Mid (pH 6-8) 2.01 7.19 -28.26 3 3 1 34 288.459 7
Mid Mid (pH 6-8) 2.01 6 -1.85 2 3 0 32 287.451 7

Activity (Go SEA)

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