UCSF

ZINC45686445

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.82 7.99 -44.1 2 4 1 56 262.329 7
Hi High (pH 8-9.5) 2.82 6.78 -7.99 1 4 0 51 261.321 7

Activity (Go SEA)

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