UCSF

ZINC61820700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 19 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) 2.81 9.63 -48.25 1 3 1 45 257.357 3
Mid Mid (pH 6-8) 2.81 7.45 -8.9 0 3 0 44 256.349 3

Activity (Go SEA)

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