UCSF

ZINC09311478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 30 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) 6.55 13.08 -58.71 1 6 -1 98 417.466 4
Mid Mid (pH 6-8) 6.06 12.07 -108.06 0 6 -2 97 416.458 5

Activity (Go SEA)

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