UCSF

ZINC36989987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.41 7.42 -39.49 2 3 1 29 268.384 2
Lo Low (pH 4.5-6) 3.41 7.85 -82.18 3 3 2 31 269.392 2

Activity (Go SEA)

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