UCSF

ZINC70615806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) -0.27 3.94 -35.11 3 4 0 81 291.17 4
Hi High (pH 8-9.5) -0.27 3.68 -46.13 2 4 -1 79 290.162 4

Activity (Go SEA)

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