UCSF

ZINC34678959

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 1.68 10.32 -22.13 1 9 0 100 488.592 9
Lo Low (pH 4.5-6) 1.68 10.73 -49.03 2 9 1 102 489.6 9

Activity (Go SEA)

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