UCSF

ZINC33772495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.74 -8.3 -204.24 4 14 -3 229 377.182 4
Mid Mid (pH 6-8) -2.74 -9.46 -97.16 5 14 -2 226 378.19 4
Lo Low (pH 4.5-6) -3.20 -7.56 -61.9 6 14 -1 223 379.198 4

Activity (Go SEA)

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