UCSF

ZINC19938289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 2.84 10.68 -74.76 1 5 0 65 382.435 7
Lo Low (pH 4.5-6) 2.84 9.87 -52.18 2 5 1 62 383.443 7

Activity (Go SEA)

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