UCSF

ZINC34844458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 3.85 11 -58.7 1 8 -1 116 509.604 11
Lo Low (pH 4.5-6) 3.85 9.07 -23.39 2 8 0 113 510.612 11

Activity (Go SEA)

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