UCSF

ZINC39963669

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.18 10.13 -22.24 1 5 0 64 389.43 3
Lo Low (pH 4.5-6) 3.18 10.51 -42.53 2 5 1 65 390.438 3

Activity (Go SEA)

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