UCSF

ZINC37039810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.49 0.82 -97.65 4 6 2 65 272.393 4
Hi High (pH 8-9.5) -1.49 0.43 -38.88 3 6 1 63 271.385 4

Activity (Go SEA)

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