UCSF

ZINC37112912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.08 5.74 -32.86 3 4 1 49 281.42 8
Mid Mid (pH 6-8) 1.08 6.04 -120.74 4 4 2 51 282.428 8
Mid Mid (pH 6-8) 1.08 3.88 -41.49 3 4 1 49 281.42 8

Activity (Go SEA)

Rings

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