UCSF

ZINC38465213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 26 No

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) 2.51 2.79 -15.18 3 6 0 99 381.494 3
Hi High (pH 8-9.5) 2.51 3.22 -49.61 2 6 -1 96 380.486 3

Activity (Go SEA)

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