UCSF

ZINC09272119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 4.70 11.23 -58.3 0 6 -1 79 501.397 9
Mid Mid (pH 6-8) 4.12 -0.09 -23.43 0 6 0 72 502.405 9

Activity (Go SEA)

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