UCSF

ZINC37822963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.04 5.19 -32.62 3 5 1 65 263.296 3
Mid Mid (pH 6-8) 0.04 4.92 -7.95 2 5 0 64 262.288 3

Activity (Go SEA)

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