UCSF

ZINC34695633

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 4.55 12.91 -21.43 1 7 0 83 531.122 7
Hi High (pH 8-9.5) 4.36 12.1 -54.35 0 7 -1 89 530.114 7

Activity (Go SEA)

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