UCSF

ZINC28638798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 30 No

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) 4.02 7.7 -17.8 1 5 0 73 420.486 5
Hi High (pH 8-9.5) 4.02 8.48 -47.61 0 5 -1 76 419.478 5

Activity (Go SEA)

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