UCSF

ZINC03651935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 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) -0.21 2.03 -44.91 3 4 -1 86 180.183 3
Lo Low (pH 4.5-6) -0.21 0.06 -7.61 4 4 0 84 181.191 3

Activity (Go SEA)

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