UCSF

ZINC49856402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 19 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) 0.15 3.86 -51.53 1 6 -1 90 264.257 4
Lo Low (pH 4.5-6) 0.15 1.91 -17.16 2 6 0 87 265.265 4

Activity (Go SEA)

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