UCSF

ZINC42582403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 3.30 7.17 -10.33 3 3 0 51 263.41 4
Lo Low (pH 4.5-6) 3.30 7.52 -41.52 4 3 1 52 264.418 4

Activity (Go SEA)

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