UCSF

ZINC09560700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 30 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) 1.46 -4.68 -54.37 1 9 1 102 426.478 3
Mid Mid (pH 6-8) 1.46 -4.47 -95.09 2 9 2 104 427.486 3

Activity (Go SEA)

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