UCSF

ZINC37850960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.93 4.4 -53.2 3 4 1 59 293.774 7
Hi High (pH 8-9.5) 1.93 2.99 -10.59 2 4 0 54 292.766 7

Activity (Go SEA)

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