UCSF

ZINC06327748

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2006 24 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) 2.40 4.35 -56.14 2 7 -1 98 384.894 7
Lo Low (pH 4.5-6) 2.40 4.49 -21.22 3 7 0 96 385.902 7

Activity (Go SEA)

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