UCSF

ZINC22174213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.08 0.22 -43.37 3 4 1 49 223.296 4
Hi High (pH 8-9.5) 1.08 1.01 -64.71 2 4 0 52 222.288 4
Hi High (pH 8-9.5) 1.08 -1.04 -5.75 2 4 0 45 222.288 4
Mid Mid (pH 6-8) 1.08 1.47 -41.43 3 4 1 46 223.296 4
Mid Mid (pH 6-8) 1.08 2.61 -120.32 4 4 2 51 224.304 4

Activity (Go SEA)

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