UCSF

ZINC42964525

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 4.08 10.96 -83.84 3 6 0 95 441.911 11
Hi High (pH 8-9.5) 4.08 9.62 -47.22 2 6 -1 91 440.903 11

Activity (Go SEA)

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