UCSF

ZINC35735578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.71 3.79 -20.61 2 5 0 67 307.419 4
Hi High (pH 8-9.5) 2.17 3.04 -42.59 2 5 0 75 307.419 4
Mid Mid (pH 6-8) 1.71 5.03 -55.03 3 5 1 72 308.427 4

Activity (Go SEA)

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