UCSF

ZINC08845282

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 30 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) 2.48 1.75 -16.71 4 8 0 119 429.86 5
Ref Reference (pH 7) 2.48 1.52 -12.63 4 8 0 119 429.86 5
Hi High (pH 8-9.5) 2.46 2.07 -52.06 2 8 -1 118 428.852 5
Hi High (pH 8-9.5) 2.46 1.19 -58.26 2 8 -1 118 428.852 5
Hi High (pH 8-9.5) 2.48 2.51 -44.51 3 8 -1 122 428.852 5
Mid Mid (pH 6-8) 2.48 2.28 -49.08 3 8 -1 122 428.852 5

Activity (Go SEA)

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