UCSF

ZINC00844113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 Yes

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) 5.93 12.46 -11.61 1 4 0 47 384.479 5
Mid Mid (pH 6-8) 5.93 12.85 -31.68 2 4 1 48 385.487 5

Activity (Go SEA)

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