UCSF

ZINC37240841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 1.21 2.65 -35.61 2 3 1 29 201.334 5
Mid Mid (pH 6-8) 1.21 4.89 -96.19 3 3 2 30 202.342 5

Activity (Go SEA)

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