UCSF

ZINC06690500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.18 6.87 -55.84 1 6 -1 87 288.327 6
Mid Mid (pH 6-8) 2.18 7.34 -53.98 2 6 0 88 289.335 6

Activity (Go SEA)

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