UCSF

ZINC34574331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 4.49 11.64 -7.41 1 3 0 27 374.528 4
Lo Low (pH 4.5-6) 4.49 12.23 -34.45 2 3 1 28 375.536 4
Lo Low (pH 4.5-6) 4.49 12.86 -77.97 3 3 2 29 376.544 4

Activity (Go SEA)

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