UCSF

ZINC34681701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.45 12.53 -49.11 2 8 1 77 512.03 9
Lo Low (pH 4.5-6) 4.45 12.88 -106.17 3 8 2 79 513.038 9

Activity (Go SEA)

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