UCSF

ZINC53498876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.17 9.49 -4.1 1 2 0 15 254.377 7
Lo Low (pH 4.5-6) 4.17 9.57 -21.52 2 2 0 16 255.385 7

Activity (Go SEA)

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