UCSF

ZINC44257685

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 0.33 -1.44 -13.43 2 6 0 88 322.184 4
Hi High (pH 8-9.5) 0.33 -1.55 -42.03 1 6 -1 90 321.176 4

Activity (Go SEA)

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