UCSF

ZINC36874702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.05 2.44 -50.38 3 4 1 49 265.377 4
Lo Low (pH 4.5-6) 0.05 4.26 -120.67 4 4 2 51 266.385 4

Activity (Go SEA)

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