UCSF

ZINC15498668

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 31 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) 2.82 3.42 -20.5 4 8 0 128 439.493 8
Hi High (pH 8-9.5) 2.82 3.53 -53.54 3 8 -1 130 438.485 8

Activity (Go SEA)

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