UCSF

ZINC19526132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 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) 1.60 6.24 -25 1 8 0 99 379.467 6
Mid Mid (pH 6-8) 1.67 5.16 -56.33 0 8 -1 105 378.459 6

Activity (Go SEA)

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