UCSF

ZINC02375297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 31 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) 2.29 5.36 -17.43 1 9 0 94 424.457 7
Lo Low (pH 4.5-6) 2.29 7.68 -55.11 2 9 1 96 425.465 7
Lo Low (pH 4.5-6) 2.29 7.54 -57.16 2 9 1 96 425.465 7

Activity (Go SEA)

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