UCSF

ZINC01119912

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 4.66 11.4 -57.77 0 6 -1 83 456.499 7
Mid Mid (pH 6-8) 4.08 11.81 -19.11 0 6 0 77 457.507 7

Activity (Go SEA)

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