UCSF

ZINC62845635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 20 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) 1.65 8.64 -52.76 0 7 -1 102 278.288 4
Lo Low (pH 4.5-6) 1.65 6.78 -11.04 1 7 0 99 279.296 4

Activity (Go SEA)

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