UCSF

ZINC02396665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 No

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) 2.37 5.86 -15.63 1 8 0 79 407.474 5
Lo Low (pH 4.5-6) 2.37 7.99 -53.38 2 8 1 80 408.482 5
Lo Low (pH 4.5-6) 2.37 8.15 -51.35 2 8 1 80 408.482 5

Activity (Go SEA)

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