UCSF

ZINC41679288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.62 9.89 -78.83 1 5 0 62 289.379 6
Hi High (pH 8-9.5) 2.62 7.83 -59.03 0 5 -1 61 288.371 6
Lo Low (pH 4.5-6) 2.62 10.55 -106.11 2 5 1 64 290.387 6

Activity (Go SEA)

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