UCSF

ZINC08742934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 29 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) 2.23 5.37 -23.71 3 7 0 103 390.443 5
Ref Reference (pH 7) 2.05 7.78 -23.82 3 7 0 99 390.443 5
Lo Low (pH 4.5-6) 2.22 7.91 -45.97 4 7 1 104 391.451 5

Activity (Go SEA)

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