UCSF

ZINC00586413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 5.05 13.62 -66.11 0 5 -1 71 384.459 6
Mid Mid (pH 6-8) 5.05 14.04 -65.25 1 5 0 72 385.467 6
Lo Low (pH 4.5-6) 5.05 13.89 -62.98 1 5 0 72 385.467 6
Lo Low (pH 4.5-6) 5.05 14.32 -102.73 2 5 1 73 386.475 6

Activity (Go SEA)

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