UCSF

ZINC20515631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 27 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) 3.27 7.62 -46.31 3 5 1 55 371.501 8
Hi High (pH 8-9.5) 3.27 8.25 -52.13 2 5 0 58 370.493 8

Activity (Go SEA)

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