UCSF

ZINC02335130

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 32 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) 4.08 7.89 -51.04 1 6 -1 91 424.411 3
Ref Reference (pH 7) 4.08 8.14 -50.99 1 6 -1 91 424.411 3
Lo Low (pH 4.5-6) 3.62 10.44 -10.76 2 6 0 88 425.419 3

Activity (Go SEA)

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