UCSF

ZINC39899100

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 36 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) 4.57 7.38 -14.03 3 8 0 108 505.958 7
Mid Mid (pH 6-8) 4.57 8.15 -48.16 2 8 -1 111 504.95 7

Activity (Go SEA)

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