UCSF

ZINC03845540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 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) 4.69 -0.95 -11.97 0 2 0 25 288.394 0
Lo Low (pH 4.5-6) 4.69 -0.93 -28.77 1 2 1 27 289.402 0

Activity (Go SEA)

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