UCSF

ZINC44907070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) -1.27 -3.29 -67.88 4 8 0 125 279.3 4
Hi High (pH 8-9.5) -1.27 -5.49 -46.85 3 8 -1 124 278.292 4
Lo Low (pH 4.5-6) -1.73 -1.44 -47.82 5 8 1 122 280.308 4

Activity (Go SEA)

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