UCSF

ZINC01174301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 24 No

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) 3.59 5.34 -41.99 0 5 -1 75 360.176 2
Lo Low (pH 4.5-6) 3.13 7.98 -8.23 1 5 0 72 361.184 2

Activity (Go SEA)

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