UCSF

ZINC39908581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 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) 6.59 13.49 -11.56 0 3 0 21 396.321 4
Lo Low (pH 4.5-6) 6.59 13.97 -28.11 1 3 1 22 397.329 4

Activity (Go SEA)

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