UCSF

ZINC40192940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.06 16.22 -12.35 1 4 0 47 473.62 7
Lo Low (pH 4.5-6) 7.06 17.13 -36.07 2 4 1 48 474.628 7

Activity (Go SEA)

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