UCSF

ZINC01010414

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 29 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) 5.83 12.25 -12.47 0 4 0 63 408.567 7
Lo Low (pH 4.5-6) 5.83 12.45 -49.95 1 4 1 64 409.575 7

Activity (Go SEA)

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