UCSF

ZINC42458982

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) 0.55 4.25 -42.55 3 3 1 40 251.394 7
Hi High (pH 8-9.5) 0.55 3.23 -2.79 2 3 0 38 250.386 7
Mid Mid (pH 6-8) 0.55 5.39 -107.82 4 3 2 41 252.402 7

Activity (Go SEA)

Rings

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