UCSF

ZINC01407265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 27 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) 3.73 10.57 -41.11 0 7 -1 88 383.405 6
Mid Mid (pH 6-8) 3.01 10.86 -13.85 1 7 0 90 384.413 6

Activity (Go SEA)

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