UCSF

ZINC04006974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 21 Yes

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) 2.70 -1.31 -13.31 2 4 0 79 303.431 5
Lo Low (pH 4.5-6) 2.70 -1.2 -43.95 3 4 1 81 304.439 5

Activity (Go SEA)

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