UCSF

ZINC25982089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 31 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) 2.94 8.3 -47.43 1 6 1 62 440.589 7
Lo Low (pH 4.5-6) 2.94 10.76 -112.89 2 6 2 63 441.597 7

Activity (Go SEA)

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