UCSF

ZINC36723468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 12 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) 0.91 5.63 -57.32 2 2 1 40 181.284 5
Hi High (pH 8-9.5) 0.91 4.28 -7.55 1 2 0 36 180.276 5

Activity (Go SEA)

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