UCSF

ZINC37318021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.93 6.07 -54.32 2 5 1 55 279.408 4
Hi High (pH 8-9.5) 0.93 4.83 -12.43 1 5 0 50 278.4 4

Activity (Go SEA)

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