UCSF

ZINC58234808

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 2.97 7.06 -34.68 2 3 1 37 302.225 4
Hi High (pH 8-9.5) 2.97 5.63 -6.34 1 3 0 32 301.217 4

Activity (Go SEA)

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