UCSF

ZINC13654880

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 3.17 4.56 -12.71 1 7 0 81 429.856 3
Mid Mid (pH 6-8) 3.17 5.19 -42.83 0 7 -1 84 428.848 3

Activity (Go SEA)

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