UCSF

ZINC19798151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) 0.40 1.21 -39.29 4 4 1 55 222.312 4
Hi High (pH 8-9.5) 0.40 -0.14 -4.91 3 4 0 51 221.304 4
Lo Low (pH 4.5-6) 0.40 1.07 -89.15 5 4 2 57 223.32 4

Activity (Go SEA)

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