UCSF

ZINC45663791

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.12 5.01 -105.78 4 4 2 48 255.406 8
Hi High (pH 8-9.5) 1.12 2.55 -43.94 3 4 1 47 254.398 8

Activity (Go SEA)

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