UCSF

ZINC34678577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.67 8.56 -51.94 3 9 1 101 469.61 10
Hi High (pH 8-9.5) 1.86 6.15 -44.93 2 9 0 107 468.602 10

Activity (Go SEA)

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