UCSF

ZINC00724939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Other Names:

MFCD04149123

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) 3.62 14.2 -14.12 1 8 0 88 438.459 8
Lo Low (pH 4.5-6) 3.80 14.52 -56.1 2 8 1 92 439.467 8

Activity (Go SEA)

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