UCSF

ZINC37051737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.82 4.76 -36.94 2 4 1 38 251.398 4
Hi High (pH 8-9.5) 0.82 3.07 -4.99 1 4 0 33 250.39 4
Mid Mid (pH 6-8) 0.82 5.49 -32.29 2 4 1 34 251.398 4
Mid Mid (pH 6-8) 0.82 6.86 -112.91 3 4 2 39 252.406 4

Activity (Go SEA)

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