UCSF

ZINC35759288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 0.23 4.52 -62.66 1 4 0 48 186.255 3
Hi High (pH 8-9.5) 0.23 2.18 -43.85 0 4 -1 47 185.247 3

Activity (Go SEA)

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