UCSF

ZINC44263693

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 3.88 10.72 -23.8 3 4 1 56 269.372 2
Mid Mid (pH 6-8) 3.88 10.48 -7.55 2 4 0 55 268.364 2

Activity (Go SEA)

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