UCSF

ZINC43239684

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.56 7.82 -42.69 3 2 1 31 303.495 7
Hi High (pH 8-9.5) 3.56 7.7 -2.47 2 2 0 29 302.487 7
Mid Mid (pH 6-8) 3.56 9.33 -109.77 4 2 2 32 304.503 7

Activity (Go SEA)

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