UCSF

ZINC19877274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 2.50 10.57 -109.93 2 3 2 22 289.467 3
Hi High (pH 8-9.5) 2.50 8.31 -34.69 1 3 1 21 288.459 3

Activity (Go SEA)

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