UCSF

ZINC23055331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 25 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) 1.48 8.09 -57.97 2 7 1 80 363.825 4
Hi High (pH 8-9.5) 1.48 5.87 -16 1 7 0 79 362.817 4

Activity (Go SEA)

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