UCSF

ZINC06420238

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 27 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) 3.29 8.82 -61.41 0 5 -1 70 384.839 7
Mid Mid (pH 6-8) 3.73 0.12 -17.84 1 5 0 66 385.847 6
Mid Mid (pH 6-8) 2.70 -0.4 -11.18 0 5 0 63 385.847 7

Activity (Go SEA)

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