UCSF

ZINC31976926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 29 No

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) -2.25 -0.23 -126.89 5 11 -1 186 429.475 10
Ref Reference (pH 7) -2.38 -3.91 -132.41 4 11 -2 192 428.467 10
Hi High (pH 8-9.5) -2.25 -0.63 -118.18 4 11 -2 185 428.467 10
Mid Mid (pH 6-8) -2.38 -3.49 -141.58 5 11 -1 193 429.475 10

Activity (Go SEA)

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