UCSF

ZINC37863588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 0.98 3.17 -43.78 4 7 1 95 282.368 6
Mid Mid (pH 6-8) 1.43 1.51 -55.57 3 7 0 98 281.36 6

Activity (Go SEA)

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