UCSF

ZINC08914796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 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) 2.73 8.43 -52.42 0 7 -1 95 424.433 5
Lo Low (pH 4.5-6) 2.73 7.62 -16.16 1 7 0 93 425.441 5

Activity (Go SEA)

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