UCSF

ZINC74716949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2012 14 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) -0.46 2.65 -43.84 2 5 1 51 197.262 4
Hi High (pH 8-9.5) -0.46 0.18 -10.16 1 5 0 50 196.254 4

Activity (Go SEA)

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