UCSF

ZINC21942025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 31 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) 1.50 7.54 -48.42 2 8 1 77 430.573 8
Hi High (pH 8-9.5) 1.50 5.33 -22.37 1 8 0 76 429.565 8

Activity (Go SEA)

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