UCSF

ZINC45663747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.90 4.07 -107.06 4 4 2 48 241.379 8
Hi High (pH 8-9.5) 0.90 1.61 -46.09 3 4 1 47 240.371 8

Activity (Go SEA)

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