UCSF

ZINC03954408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 27 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) 4.84 10.36 -58.88 0 5 -1 71 358.373 4
Lo Low (pH 4.5-6) 4.84 10.41 -39.5 1 5 0 73 359.381 4

Activity (Go SEA)

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