UCSF

ZINC35017282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 3.63 7.21 -15.8 3 6 0 83 423.585 9
Mid Mid (pH 6-8) 2.88 6.11 -40.15 2 6 -1 90 422.577 8

Activity (Go SEA)

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