UCSF

ZINC01926797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 25 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) 3.00 7.72 -16.56 1 5 0 57 340.423 8
Mid Mid (pH 6-8) 3.00 8.29 -32.81 2 5 1 58 341.431 8

Activity (Go SEA)

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