UCSF

ZINC13545786

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 27 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) 5.41 7.62 -58.15 0 4 -1 70 350.353 2
Mid Mid (pH 6-8) 4.51 9.62 -16.57 1 4 0 67 351.361 2

Activity (Go SEA)

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