UCSF

ZINC00119380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 3.15 9.49 -51.88 1 5 -1 78 292.318 5
Lo Low (pH 4.5-6) 3.15 9.83 -48.47 2 5 0 79 293.326 5

Activity (Go SEA)

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