UCSF

ZINC58248514

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 25 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) 4.35 11.34 -47 2 3 1 34 378.323 5
Hi High (pH 8-9.5) 4.35 9.09 -8.9 1 3 0 32 377.315 5

Activity (Go SEA)

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