UCSF

ZINC06382518

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 3.30 8.96 -62.87 0 5 -1 70 382.411 6
Mid Mid (pH 6-8) 3.30 1.23 -10.64 1 5 0 66 383.419 6
Mid Mid (pH 6-8) 2.72 1.09 -17.72 0 5 0 63 383.419 6

Activity (Go SEA)

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