UCSF

ZINC06730389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 3.01 -3.58 -17.9 1 7 0 84 402.472 6
Hi High (pH 8-9.5) 3.01 -3.02 -57.56 0 7 -1 87 401.464 6

Activity (Go SEA)

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