UCSF

ZINC00585704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 27 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) 4.81 0.01 -10.29 2 6 0 71 383.883 4
Lo Low (pH 4.5-6) 4.81 0.07 -43 3 6 1 73 384.891 4

Activity (Go SEA)

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