UCSF

ZINC01311936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 23 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) 4.81 7.93 -41.76 0 4 -1 53 343.815 4
Mid Mid (pH 6-8) 4.81 8.36 -17.91 1 4 0 51 344.823 4

Activity (Go SEA)

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