UCSF

ZINC61858395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 20 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) 3.09 9.76 -114.55 2 3 2 18 341.293 4
Hi High (pH 8-9.5) 3.09 7.49 -39.94 1 3 1 17 340.285 4
Mid Mid (pH 6-8) 3.09 7.33 -36.88 1 3 1 17 340.285 4

Activity (Go SEA)

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