UCSF

ZINC68240348

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 23 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) 1.70 8.13 -49.21 2 5 1 54 316.425 5
Mid Mid (pH 6-8) 1.70 5.94 -17.36 1 5 0 53 315.417 5

Activity (Go SEA)

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