UCSF

ZINC13427250

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 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) 2.36 6.18 -56.7 1 7 -1 95 397.461 4
Lo Low (pH 4.5-6) 1.90 8.21 -15.15 2 7 0 92 398.469 4

Activity (Go SEA)

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