UCSF

ZINC09339488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 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) 3.11 8.6 -58.04 0 9 -1 122 467.479 8
Mid Mid (pH 6-8) 3.56 8.95 -17.47 1 9 0 119 468.487 7

Activity (Go SEA)

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