UCSF

ZINC12604868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 27 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) 3.74 8.37 -12.2 1 5 0 66 386.517 4
Mid Mid (pH 6-8) 3.74 8.46 -46.57 0 5 -1 69 385.509 4

Activity (Go SEA)

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