UCSF

ZINC34683401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 3.85 11.29 -38.56 2 5 1 54 397.539 7
Hi High (pH 8-9.5) 3.85 12.19 -39.46 1 5 0 57 396.531 7

Activity (Go SEA)

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