UCSF

ZINC22073490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) 1.55 3.74 -37.86 2 2 1 20 171.308 4
Hi High (pH 8-9.5) 1.55 5.14 -27.72 2 2 1 16 171.308 4
Mid Mid (pH 6-8) 1.55 6.08 -106.04 3 2 2 21 172.316 4

Activity (Go SEA)

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