UCSF

ZINC49474765

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) 1.00 4.91 -86.73 4 3 2 33 215.385 8
Hi High (pH 8-9.5) 1.00 2.7 -36.37 3 3 1 32 214.377 8

Activity (Go SEA)

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