UCSF

ZINC44121266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 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) 2.42 4.16 -31.39 2 3 1 28 243.415 6
Hi High (pH 8-9.5) 2.42 4.47 -33.95 2 3 1 28 243.415 6
Lo Low (pH 4.5-6) 2.42 6.57 -96.13 3 3 2 29 244.423 6

Activity (Go SEA)

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