UCSF

ZINC15319632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 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) 4.38 11.93 -12.62 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.56 11.7 -11.27 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.56 12.63 -12.76 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.38 11.97 -12.31 0 6 0 82 437.517 6

Activity (Go SEA)

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