UCSF

ZINC40176324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 1.69 7.3 -12.4 1 3 0 50 237.258 1
Hi High (pH 8-9.5) 2.99 7.41 -53.95 0 3 -1 53 236.25 1

Activity (Go SEA)

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