UCSF

ZINC34547756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.88 7.94 -53.84 2 5 1 54 396.486 5
Lo Low (pH 4.5-6) 2.88 10.55 -127.54 3 5 2 55 397.494 5

Activity (Go SEA)

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