UCSF

ZINC42459034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.28 -0.44 -3.95 2 5 0 57 244.335 4
Hi High (pH 8-9.5) -0.28 1.42 -31.75 3 5 1 58 245.343 4
Mid Mid (pH 6-8) -0.28 -0.22 -37.48 3 5 1 59 245.343 4

Activity (Go SEA)

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