UCSF

ZINC20090522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.11 9.11 -109.22 3 3 2 34 262.397 8
Hi High (pH 8-9.5) 3.11 7.69 -36.29 2 3 1 30 261.389 8
Mid Mid (pH 6-8) 3.11 6.8 -44.53 2 3 1 33 261.389 8

Activity (Go SEA)

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