UCSF

ZINC13451431

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 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) 4.13 11.89 -78.3 1 6 0 74 456.608 10
Mid Mid (pH 6-8) 4.58 10.76 -60.15 2 6 1 71 457.616 9

Activity (Go SEA)

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