UCSF

ZINC40771180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.21 9.35 -117.59 3 2 2 21 240.435 5
Hi High (pH 8-9.5) 3.21 8 -32.06 2 2 1 16 239.427 5
Mid Mid (pH 6-8) 3.21 7.12 -39.06 2 2 1 20 239.427 5

Activity (Go SEA)

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