UCSF

ZINC19935130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 1.75 6.67 -43.33 1 3 1 31 230.335 3
Mid Mid (pH 6-8) 1.75 4.28 -5.86 0 3 0 30 229.327 3

Activity (Go SEA)

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