UCSF

ZINC44685454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.41 10 -32.89 2 2 1 16 293.862 6
Hi High (pH 8-9.5) 3.41 7.67 -1.91 1 2 0 15 292.854 6
Lo Low (pH 4.5-6) 3.41 8.53 -42.23 2 2 1 20 293.862 6

Activity (Go SEA)

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