UCSF

ZINC08738468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 39 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) 4.71 15.35 -79.47 1 9 0 120 529.593 11
Mid Mid (pH 6-8) 4.13 2.04 -53.52 1 9 1 113 530.601 11

Activity (Go SEA)

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