UCSF

ZINC35816157

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 2.93 10.11 -15.13 1 6 0 66 422.435 4
Mid Mid (pH 6-8) 2.93 10.46 -46.07 2 6 1 67 423.443 4

Activity (Go SEA)

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