UCSF

ZINC03006168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 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) 2.15 5.79 -21.47 1 6 0 89 384.457 7
Lo Low (pH 4.5-6) 2.15 6.26 -51.05 2 6 1 91 385.465 7

Activity (Go SEA)

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