UCSF

ZINC30503671

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 1.52 7.58 -49.73 2 6 1 71 388.513 7
Hi High (pH 8-9.5) 1.52 6.44 -14.76 1 6 0 70 387.505 7

Activity (Go SEA)

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