UCSF

ZINC39899023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 6.24 12.11 -36.3 1 5 -1 72 501.752 4
Mid Mid (pH 6-8) 6.24 11.35 -12.73 2 5 0 69 502.76 4
Mid Mid (pH 6-8) 6.24 11.24 -11.4 2 5 0 69 502.76 4

Activity (Go SEA)

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