UCSF

ZINC34329094

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) 1.65 4.41 -122.91 2 6 -2 121 362.422 2
Lo Low (pH 4.5-6) 1.65 2.74 -58.21 3 6 -1 118 363.43 2

Activity (Go SEA)

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