UCSF

ZINC00795421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 4.52 19.66 -21.46 0 8 0 70 435.576 3
Lo Low (pH 4.5-6) 4.52 19.85 -33.55 1 8 1 72 436.584 3
Lo Low (pH 4.5-6) 4.52 19.86 -32.08 1 8 1 72 436.584 3

Activity (Go SEA)

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