UCSF

ZINC36596950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.80 7.24 -70 1 7 1 87 442.513 3
Mid Mid (pH 6-8) 2.80 4.16 -20.39 0 7 0 86 441.505 3

Activity (Go SEA)

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