UCSF

ZINC19685160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 0.87 4.68 -108.22 4 3 2 41 222.332 4
Hi High (pH 8-9.5) 0.87 0.72 -4.87 2 3 0 35 220.316 4
Mid Mid (pH 6-8) 0.87 2.28 -38.55 3 3 1 40 221.324 4

Activity (Go SEA)

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