UCSF

ZINC58406092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 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) 1.36 4.41 -43.98 3 6 1 66 341.52 8
Mid Mid (pH 6-8) 1.36 2.14 -10.86 2 6 0 65 340.512 8

Activity (Go SEA)

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