UCSF

ZINC36617516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) -3.12 4.21 -185.21 1 10 -3 167 296.215 7
Lo Low (pH 4.5-6) -3.12 2.16 -105.58 2 10 -2 164 297.223 7

Activity (Go SEA)

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