UCSF

ZINC09540567

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 33 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) 3.41 13.44 -13.81 0 9 0 97 448.479 9
Mid Mid (pH 6-8) 3.41 13.95 -55.31 1 9 1 99 449.487 9

Activity (Go SEA)

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