UCSF

ZINC04371935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 31 Yes

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) 1.78 8.15 -18.42 1 7 0 89 415.449 6
Lo Low (pH 4.5-6) 1.78 8.43 -51.36 2 7 1 90 416.457 6

Activity (Go SEA)

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