UCSF

ZINC34678763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 No

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) 5.20 12.68 -13.18 0 6 0 69 435.549 6
Mid Mid (pH 6-8) 5.20 14.93 -55.69 1 6 1 71 436.557 6

Activity (Go SEA)

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