UCSF

ZINC37258495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) 1.77 6.04 -41.4 2 3 1 43 186.275 6
Mid Mid (pH 6-8) 1.77 4.68 -4.61 1 3 0 38 185.267 6

Activity (Go SEA)

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