UCSF

ZINC35179855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) -1.20 -0.66 -44.03 4 7 1 95 200.222 4
Hi High (pH 8-9.5) -0.74 -4.79 -36.21 2 7 -1 97 198.206 4
Mid Mid (pH 6-8) -0.74 -2.31 -53.45 3 7 0 98 199.214 4

Activity (Go SEA)

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