UCSF

ZINC42947200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 4.15 6.02 -44.43 3 2 1 31 323.81 8
Hi High (pH 8-9.5) 4.15 5.74 -2.23 2 2 0 29 322.802 8
Lo Low (pH 4.5-6) 4.15 8.03 -116.03 4 2 2 32 324.818 8

Activity (Go SEA)

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