UCSF

ZINC04078720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 26 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) 2.22 7.38 -17.47 1 7 0 89 373.434 7
Hi High (pH 8-9.5) 2.04 5.83 -51.25 0 7 -1 95 372.426 7

Activity (Go SEA)

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