UCSF

ZINC13503566

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 4.31 8.95 -17.25 1 6 0 70 440.565 10
Lo Low (pH 4.5-6) 4.31 9.18 -40.47 2 6 1 71 441.573 10

Activity (Go SEA)

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