UCSF

ZINC35829318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 2.76 11.94 -46.44 1 9 1 106 438.508 4
Mid Mid (pH 6-8) 2.76 11.53 -14.92 0 9 0 104 437.5 4

Activity (Go SEA)

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