UCSF

ZINC38002019

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.40 6.87 -43.71 2 3 1 29 376.384 7
Hi High (pH 8-9.5) 4.40 7.02 -3.07 1 3 0 24 375.376 7
Lo Low (pH 4.5-6) 4.40 8.62 -126.54 3 3 2 30 377.392 7

Activity (Go SEA)

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