UCSF

ZINC34463777

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 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) 3.57 7.53 -8.6 2 5 0 74 332.375 6
Lo Low (pH 4.5-6) 3.57 7.97 -33.1 3 5 1 76 333.383 6

Activity (Go SEA)

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