UCSF

ZINC18140172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 13 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) 1.80 3.85 -8.66 1 3 0 46 192.243 1
Hi High (pH 8-9.5) 2.26 1.86 -50 0 3 -1 49 191.235 1

Activity (Go SEA)

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