UCSF

ZINC37106523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.06 8.17 -36.8 2 3 1 34 220.34 3
Mid Mid (pH 6-8) 2.06 8.68 -100.16 3 3 2 36 221.348 3

Activity (Go SEA)

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