UCSF

ZINC02704665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 3.58 8.98 -12.36 1 6 0 84 384.391 2
Lo Low (pH 4.5-6) 3.58 9.29 -35.24 2 6 1 85 385.399 2

Activity (Go SEA)

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