UCSF

ZINC28377200

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 23 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) 5.38 8.42 -12.15 1 4 0 60 375.218 4
Mid Mid (pH 6-8) 5.38 9.22 -40.85 0 4 -1 63 374.21 4

Activity (Go SEA)

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