UCSF

ZINC37321128

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) 3.92 5.97 -42.19 3 3 1 46 408.154 5
Hi High (pH 8-9.5) 3.92 4.74 -3.94 2 3 0 41 407.146 5

Activity (Go SEA)

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