UCSF

ZINC31548266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 21 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) 1.28 4.85 -17.81 1 6 0 65 289.335 5
Lo Low (pH 4.5-6) 1.28 4.97 -38.93 2 6 1 67 290.343 5

Activity (Go SEA)

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