UCSF

ZINC09707562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 33 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) 3.16 1.81 -16.02 0 9 0 94 446.442 4
Mid Mid (pH 6-8) 3.16 2.08 -40.9 1 9 1 95 447.45 4

Activity (Go SEA)

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