UCSF

ZINC22455168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 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) 3.93 10.61 -37.41 1 2 1 8 313.44 5
Hi High (pH 8-9.5) 3.93 8.64 -4.01 0 2 0 6 312.432 5
Mid Mid (pH 6-8) 3.93 10.96 -39.28 1 2 1 8 313.44 5

Activity (Go SEA)

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