UCSF

ZINC34542018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.15 11.59 -49.1 1 6 1 70 408.453 4
Hi High (pH 8-9.5) 4.15 9.35 -13.25 0 6 0 68 407.445 4

Activity (Go SEA)

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