UCSF

ZINC08985444

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 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) 6.94 15.01 -18.42 1 5 0 65 471.597 6
Mid Mid (pH 6-8) 6.90 0.93 -8.85 0 5 0 64 471.597 6

Activity (Go SEA)

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