UCSF

ZINC42459022

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) -0.17 3.26 -40.26 3 4 1 49 253.366 8
Hi High (pH 8-9.5) -0.17 2.62 -4.09 2 4 0 48 252.358 8
Mid Mid (pH 6-8) -0.17 5.34 -120.36 4 4 2 51 254.374 8

Activity (Go SEA)

Rings

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