UCSF

ZINC12021876

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.45 7.06 -50.97 2 7 1 88 448.59 6
Mid Mid (pH 6-8) 2.45 5.14 -20.93 1 7 0 87 447.582 6

Activity (Go SEA)

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