UCSF

ZINC74705760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2012 19 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) 0.51 6.51 -11.23 0 4 0 46 255.321 5
Lo Low (pH 4.5-6) 0.51 6.97 -39.62 1 4 1 47 256.329 5

Activity (Go SEA)

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