UCSF

ZINC00646481

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD03847682

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) 3.50 9.78 -10.14 2 7 0 85 384.802 3
Lo Low (pH 4.5-6) 3.68 9.88 -37.24 3 7 1 90 385.81 3

Activity (Go SEA)

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