UCSF

ZINC19716777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 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) 2.18 8.56 -14.71 1 6 0 59 392.503 6
Mid Mid (pH 6-8) 2.18 10.9 -53.61 2 6 1 60 393.511 6
Lo Low (pH 4.5-6) 2.18 11.33 -97.91 3 6 2 61 394.519 6

Activity (Go SEA)

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