UCSF

ZINC43417408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) 1.98 5.91 -102.93 4 2 2 32 188.359 8
Hi High (pH 8-9.5) 1.98 5.36 -31.44 3 2 1 30 187.351 8
Mid Mid (pH 6-8) 1.98 4.16 -41 3 2 1 31 187.351 8

Activity (Go SEA)

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