UCSF

ZINC06207274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.05 12.15 -57.98 0 5 -1 71 388.443 5
Mid Mid (pH 6-8) 5.05 12.48 -50.18 1 5 0 73 389.451 5

Activity (Go SEA)

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