UCSF

ZINC37998093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 No

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) 1.06 5.28 -54.24 2 6 1 81 253.278 5
Mid Mid (pH 6-8) 1.06 3.92 -9.12 1 6 0 76 252.27 5

Activity (Go SEA)

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