UCSF

ZINC44249065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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 1.82 -8.63 2 3 0 52 219.162 4
Mid Mid (pH 6-8) 1.21 2.23 -53.41 3 3 1 54 220.17 4

Activity (Go SEA)

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