UCSF

ZINC37039822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.58 5.87 -88.41 4 5 2 53 289.427 6
Hi High (pH 8-9.5) 0.58 3.61 -49.43 3 5 1 51 288.419 6
Mid Mid (pH 6-8) 0.58 6.32 -151.79 5 5 3 54 290.435 6
Mid Mid (pH 6-8) 0.58 5.87 -102.73 4 5 2 53 289.427 6
Mid Mid (pH 6-8) 0.58 4.06 -75.84 4 5 2 53 289.427 6

Activity (Go SEA)

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