UCSF

ZINC37258676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.99 2.89 -57.02 4 4 1 74 283.417 6
Hi High (pH 8-9.5) 1.99 3.46 -9.66 3 4 0 72 282.409 6

Activity (Go SEA)

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