UCSF

ZINC31034672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 32 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) 2.76 10.03 -15.91 0 6 0 65 425.488 4
Lo Low (pH 4.5-6) 2.76 10.47 -55.27 1 6 1 66 426.496 4

Activity (Go SEA)

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