UCSF

ZINC37074059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.28 3.69 -41.91 3 4 1 63 244.698 5
Hi High (pH 8-9.5) 2.28 3.16 -40.74 1 4 -1 61 242.682 5
Hi High (pH 8-9.5) 2.28 4.45 -31.85 2 4 0 66 243.69 5
Mid Mid (pH 6-8) 2.28 2.4 -7.65 2 4 0 59 243.69 5

Activity (Go SEA)

Rings

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