UCSF

ZINC29966396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 22 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) 3.22 6.13 -12.7 1 6 0 76 332.466 6
Hi High (pH 8-9.5) 3.22 5.86 -40.55 0 6 -1 78 331.458 6
Mid Mid (pH 6-8) 3.22 6.06 -41.3 2 6 1 80 333.474 6

Activity (Go SEA)

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