UCSF

ZINC21795409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.45 3.69 -65.23 4 4 1 66 303.304 4
Hi High (pH 8-9.5) 3.45 3.35 -8.87 3 4 0 64 302.296 4

Activity (Go SEA)

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