UCSF

ZINC20358528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 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) 1.53 4.91 -48.79 3 6 1 75 300.423 7
Hi High (pH 8-9.5) 1.53 3.74 -11.34 2 6 0 71 299.415 7

Activity (Go SEA)

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