UCSF

ZINC15446607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 12 No

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) 0.67 2 -101.7 5 4 2 62 173.26 4
Ref Reference (pH 7) 0.54 1.96 -36.06 4 4 1 63 172.252 3
Hi High (pH 8-9.5) 0.67 -0.22 -32.08 4 4 1 61 172.252 4
Hi High (pH 8-9.5) 0.54 -0.27 -5.76 3 4 0 62 171.244 3

Activity (Go SEA)

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