UCSF

ZINC44609200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) 3.51 9.53 -41.7 1 3 1 41 306.499 4
Mid Mid (pH 6-8) 3.51 7.47 -8.89 0 3 0 40 305.491 4

Activity (Go SEA)

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