UCSF

ZINC29354784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 26 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) 3.28 7.19 -16.53 2 5 0 71 373.384 5
Hi High (pH 8-9.5) 3.10 6.13 -41.89 1 5 -1 77 372.376 5

Activity (Go SEA)

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