UCSF

ZINC21794103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.29 3.64 -43.31 2 4 1 38 305.32 7
Hi High (pH 8-9.5) 2.29 2.23 -3.95 1 4 0 34 304.312 7
Lo Low (pH 4.5-6) 2.29 4.56 -36.58 2 4 1 35 305.32 7

Activity (Go SEA)

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