UCSF

ZINC37984895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.90 4.78 -48.47 3 4 1 55 367.329 12
Mid Mid (pH 6-8) 2.90 3.42 -7.47 2 4 0 51 366.321 12

Activity (Go SEA)

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