UCSF

ZINC37228735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.88 3.48 -40.62 2 3 1 23 280.358 6
Hi High (pH 8-9.5) 1.88 2.28 -3.49 1 3 0 19 279.35 6
Mid Mid (pH 6-8) 1.88 5.93 -116.4 3 3 2 24 281.366 6
Mid Mid (pH 6-8) 1.88 4.74 -34.54 2 3 1 20 280.358 6
Mid Mid (pH 6-8) 1.88 6.84 -85.49 3 3 2 21 281.366 6

Activity (Go SEA)

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