UCSF

ZINC49626720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 32 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) 3.75 11.93 -53.21 2 5 1 54 439.62 3
Mid Mid (pH 6-8) 3.75 10.93 -8.44 1 5 0 53 438.612 3

Activity (Go SEA)

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