UCSF

ZINC37849699

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.46 3.57 -42.7 3 4 1 49 281.42 11
Mid Mid (pH 6-8) 1.46 4.28 -36.01 3 4 1 46 281.42 11

Activity (Go SEA)

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