UCSF

ZINC28765437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) -0.96 4.93 -68.49 1 6 -1 86 333.339 3
Mid Mid (pH 6-8) -2.97 3.84 -47.28 2 6 0 89 334.347 2

Activity (Go SEA)

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