UCSF

ZINC37048953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.79 6.41 -89.07 4 5 2 53 289.427 5
Hi High (pH 8-9.5) 0.79 4.27 -78.14 4 5 2 53 289.427 5
Mid Mid (pH 6-8) 0.78 6.09 -104.97 4 5 2 53 289.427 5
Mid Mid (pH 6-8) 0.78 6.25 -160.55 5 5 3 54 290.435 5
Mid Mid (pH 6-8) 0.79 4.13 -47.8 3 5 1 51 288.419 5

Activity (Go SEA)

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