UCSF

ZINC08995388

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 25 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) 4.58 9.02 -12.96 1 5 0 72 370.817 2
Hi High (pH 8-9.5) 4.65 7.23 -44.31 0 5 -1 79 369.809 2

Activity (Go SEA)

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