UCSF

ZINC14830969

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 30 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) 4.21 10.36 -16.62 1 6 0 81 397.434 6
Lo Low (pH 4.5-6) 4.21 10.64 -53.96 2 6 1 82 398.442 6

Activity (Go SEA)

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