UCSF

ZINC12851450

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 29 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) 2.23 8.42 -18.18 2 8 0 102 430.559 8
Hi High (pH 8-9.5) 2.42 7.19 -47.43 1 8 -1 108 429.551 8

Activity (Go SEA)

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