UCSF

ZINC37996995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 0.25 2.06 -58.65 5 5 1 88 245.306 5
Hi High (pH 8-9.5) 0.25 0.73 -12.28 4 5 0 84 244.298 5

Activity (Go SEA)

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