UCSF

ZINC37977793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 0.78 6.49 -47.48 2 5 1 55 275.376 5
Mid Mid (pH 6-8) 0.78 5.73 -31.88 2 5 1 51 275.376 5
Mid Mid (pH 6-8) 0.78 5.29 -15.93 1 5 0 50 274.368 5
Lo Low (pH 4.5-6) 0.78 7.03 -109.25 3 5 2 56 276.384 5

Activity (Go SEA)

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