UCSF

ZINC37088066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.25 8.28 -27.44 2 3 0 57 253.367 6
Hi High (pH 8-9.5) 2.25 7.33 -46.03 1 3 -1 52 252.359 6

Activity (Go SEA)

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