UCSF

ZINC08584749

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 34 Yes

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) 3.24 8.47 -18.16 3 9 0 111 463.538 9
Mid Mid (pH 6-8) 3.42 8.57 -45.66 2 9 -1 112 462.53 9

Activity (Go SEA)

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