UCSF

ZINC39914513

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 4.13 6.2 -12.18 3 7 0 99 439.899 6
Mid Mid (pH 6-8) 4.13 6.98 -47.43 2 7 -1 102 438.891 6

Activity (Go SEA)

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