UCSF

ZINC39865046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.61 7.55 -11.14 1 5 0 67 385.514 3
Hi High (pH 8-9.5) 5.61 8.39 -42.82 0 5 -1 70 384.506 3

Activity (Go SEA)

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