UCSF

ZINC37394037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 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) 1.69 5.51 -39.42 2 3 1 43 172.248 8
Mid Mid (pH 6-8) 1.69 4.15 -4.74 1 3 0 38 171.24 8

Activity (Go SEA)

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