UCSF

ZINC33084702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 28 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) 4.82 11.74 -36.59 2 5 1 56 382.459 7
Mid Mid (pH 6-8) 4.82 11.46 -20.62 1 5 0 54 381.451 7

Activity (Go SEA)

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