UCSF

ZINC34194578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 10 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) 0.90 2.69 -43.49 3 3 1 54 144.194 4
Mid Mid (pH 6-8) 0.90 2.41 -3.88 2 3 0 52 143.186 4

Activity (Go SEA)

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