UCSF

ZINC00952204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 Yes

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) 2.39 10.13 -19.39 0 8 0 80 394.431 6
Mid Mid (pH 6-8) 2.39 10.65 -40.42 1 8 1 81 395.439 6
Lo Low (pH 4.5-6) 2.39 10.47 -43.81 1 8 1 82 395.439 6

Activity (Go SEA)

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