UCSF

ZINC37252276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 1.29 4.65 -41.52 2 4 1 52 216.301 6
Hi High (pH 8-9.5) 1.29 3.42 -4.6 1 4 0 48 215.293 6

Activity (Go SEA)

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