UCSF

ZINC34884587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 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) 4.33 9.21 -46.03 0 6 -1 81 464.235 5
Lo Low (pH 4.5-6) 4.33 9.55 -41.76 1 6 0 82 465.243 5

Activity (Go SEA)

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