UCSF

ZINC06314698

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 30 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) 2.00 -1.41 -14.29 1 6 0 83 419.506 6
Mid Mid (pH 6-8) 1.42 -1.58 -19.35 0 6 0 80 419.506 6
Lo Low (pH 4.5-6) 2.44 -1.69 -67.72 2 6 1 84 420.514 5

Activity (Go SEA)

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