UCSF

ZINC19500705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 24 No

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) 2.29 6.42 -15.07 1 6 0 76 350.802 4
Mid Mid (pH 6-8) 2.29 6.53 -58.23 2 6 1 80 351.81 4

Activity (Go SEA)

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