UCSF

ZINC34683483

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 4.10 10.65 -52.54 2 4 1 45 367.513 6
Hi High (pH 8-9.5) 4.10 12.04 -36.58 1 4 0 48 366.505 6

Activity (Go SEA)

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