UCSF

ZINC01198832

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 3.42 11.62 -60.6 0 6 -1 79 428.464 7
Mid Mid (pH 6-8) 3.87 9.57 -29.9 1 6 0 76 429.472 6
Mid Mid (pH 6-8) 2.84 10.56 -22.82 0 6 0 73 429.472 7

Activity (Go SEA)

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