UCSF

ZINC32819278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 20 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) 2.11 5.6 -42.21 2 4 1 37 296.822 5
Hi High (pH 8-9.5) 2.11 3.29 -9.78 1 4 0 36 295.814 5
Mid Mid (pH 6-8) 2.11 5.61 -46.88 2 4 1 37 296.822 5

Activity (Go SEA)

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