UCSF

ZINC09019056

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 32 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) 4.73 11.22 -59.14 0 6 -1 79 501.397 9
Mid Mid (pH 6-8) 4.14 -0.11 -21.11 0 6 0 72 502.405 9

Activity (Go SEA)

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