UCSF

ZINC69131568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 1.48 7.64 -16.19 0 6 0 55 350.422 3
Mid Mid (pH 6-8) 1.48 10 -53.59 1 6 1 56 351.43 3

Activity (Go SEA)

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