UCSF

ZINC09042138

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 4.85 12.75 -58.05 0 9 -1 132 488.501 5
Mid Mid (pH 6-8) 5.29 13.09 -15.2 1 9 0 129 489.509 4

Activity (Go SEA)

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