UCSF

ZINC40935931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 7.35 15.06 -278.89 0 8 -4 145 498.534 25
Mid Mid (pH 6-8) 7.35 13.91 -181.15 1 8 -3 142 499.542 25
Lo Low (pH 4.5-6) 7.35 12.75 -87.55 2 8 -2 139 500.55 25

Activity (Go SEA)

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