UCSF

ZINC57703410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 2.84 9.25 -62.34 2 5 0 50 313.425 6
Mid Mid (pH 6-8) 2.84 9.21 -11.09 1 5 0 48 312.417 6
Lo Low (pH 4.5-6) 2.84 9.79 -53.29 3 5 0 51 314.433 6

Activity (Go SEA)

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