UCSF

ZINC49474768

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) 0.16 6.73 -183.49 5 4 3 52 213.349 8
Hi High (pH 8-9.5) 0.16 4.88 -41.93 3 4 1 46 211.333 8
Hi High (pH 8-9.5) 0.16 5.04 -48.93 3 4 1 46 211.333 8
Mid Mid (pH 6-8) 0.16 5.39 -78.18 4 4 2 48 212.341 8
Mid Mid (pH 6-8) 0.16 6.23 -126.23 4 4 2 51 212.341 8
Mid Mid (pH 6-8) 0.16 5.53 -94.3 4 4 2 48 212.341 8

Activity (Go SEA)

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