UCSF

ZINC12535503

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 2.56 9.32 -13.98 1 6 0 73 361.43 4
Mid Mid (pH 6-8) 2.56 9.55 -31.92 2 6 1 74 362.438 4

Activity (Go SEA)

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