UCSF

ZINC20873680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 5.00 11.64 -40.99 2 3 1 35 348.466 8
Hi High (pH 8-9.5) 5.00 10.22 -5.95 1 3 0 30 347.458 8

Activity (Go SEA)

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