UCSF

ZINC06144442

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 33 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) 4.19 11.24 -7.61 0 7 0 62 443.503 5
Ref Reference (pH 7) 4.19 11.17 -13.42 0 7 0 62 443.503 5
Mid Mid (pH 6-8) 4.19 11.93 -23.79 1 7 0 64 444.511 5
Mid Mid (pH 6-8) 4.19 12 -28.43 1 7 0 64 444.511 5

Activity (Go SEA)

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