UCSF

ZINC27571656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 30 No

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) 1.96 7.03 -119.68 0 8 -2 119 409.394 8
Lo Low (pH 4.5-6) 1.96 6.21 -57.11 1 8 -1 116 410.402 8

Activity (Go SEA)

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