UCSF

ZINC35517667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 5.04 9.58 -20.1 1 8 0 113 421.434 5
Mid Mid (pH 6-8) 5.30 10.1 -57.04 0 8 -1 112 420.426 6
Mid Mid (pH 6-8) 5.49 7.74 -65.42 0 8 -1 117 420.426 5
Lo Low (pH 4.5-6) 5.29 9.88 -59.85 0 8 -1 112 420.426 6

Activity (Go SEA)

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