UCSF

ZINC37087960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.23 9.07 -34.99 2 4 0 81 286.356 6
Hi High (pH 8-9.5) 2.23 7.55 -46.3 1 4 -1 76 285.348 6

Activity (Go SEA)

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