UCSF

ZINC66180771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 22 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) 5.35 11.52 -37.28 2 2 1 26 298.45 8
Hi High (pH 8-9.5) 5.35 10.37 -3.4 1 2 0 21 297.442 8

Activity (Go SEA)

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