UCSF

ZINC04543273

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 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) 4.18 7.5 -11.9 2 3 0 41 312.438 1
Lo Low (pH 4.5-6) 4.25 7.16 -38.27 3 3 1 46 313.446 1

Activity (Go SEA)

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