UCSF

ZINC44123229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 0.99 4.9 -44.22 2 4 1 43 266.361 5
Hi High (pH 8-9.5) 0.99 2.64 -7.99 1 4 0 42 265.353 5

Activity (Go SEA)

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