UCSF

ZINC22455164

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 10.73 -42.18 1 2 1 8 313.44 5
Hi High (pH 8-9.5) 3.93 8.5 -3.83 0 2 0 6 312.432 5
Mid Mid (pH 6-8) 3.93 10.82 -39.25 1 2 1 8 313.44 5

Activity (Go SEA)

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