UCSF

ZINC41194131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 4.03 8 -35.89 2 2 1 29 269.478 7
Hi High (pH 8-9.5) 4.03 7.04 -3.54 1 2 0 25 268.47 7
Lo Low (pH 4.5-6) 4.03 8.54 -96 3 2 2 31 270.486 7

Activity (Go SEA)

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