UCSF

ZINC34691993

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.79 9.55 -10.46 0 5 0 42 426.532 7
Lo Low (pH 4.5-6) 3.79 11.81 -59.6 1 5 1 43 427.54 7

Activity (Go SEA)

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