UCSF

ZINC00074788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 0.81 3.7 -11.18 1 4 0 55 219.269 2
Lo Low (pH 4.5-6) 0.81 3.99 -40.83 2 4 1 56 220.277 2

Activity (Go SEA)

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