UCSF

ZINC34698978

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 5.13 12.37 -14.37 0 4 0 37 434.555 8
Lo Low (pH 4.5-6) 5.13 14.9 -51.81 1 4 1 38 435.563 8

Activity (Go SEA)

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