UCSF

ZINC34992388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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 8.31 -38.91 2 3 1 35 284.379 5
Hi High (pH 8-9.5) 2.70 7.34 -4.88 1 3 0 30 283.371 5

Activity (Go SEA)

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