UCSF

ZINC36743511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.56 4.45 -7.52 3 4 0 72 377.21 3
Hi High (pH 8-9.5) 3.56 4.23 -32.36 2 4 -1 74 376.202 3

Activity (Go SEA)

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