UCSF

ZINC02021773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 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) 2.57 6.05 -39.26 2 5 1 52 327.832 6
Hi High (pH 8-9.5) 2.57 3.75 -10.68 1 5 0 51 326.824 6

Activity (Go SEA)

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