UCSF

ZINC53113829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.64 0.05 -8.96 6 6 0 114 264.329 4
Lo Low (pH 4.5-6) 0.64 -0.61 -32.96 7 6 1 116 265.337 4

Activity (Go SEA)

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