UCSF

ZINC35500602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.90 6.54 -54.59 3 4 1 63 368.638 3
Hi High (pH 8-9.5) 4.36 3.06 -45.8 1 4 -1 61 366.622 3
Mid Mid (pH 6-8) 4.36 3.91 -73.61 2 4 0 66 367.63 3

Activity (Go SEA)

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