UCSF

ZINC42463078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.62 2.58 -48.41 3 4 1 51 254.398 2
Hi High (pH 8-9.5) 1.62 2.37 -6.11 2 4 0 50 253.39 2
Mid Mid (pH 6-8) 1.62 4.63 -108.38 4 4 2 52 255.406 2

Activity (Go SEA)

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