UCSF

ZINC43260515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.26 5.41 -36.72 3 4 1 51 361.329 4
Hi High (pH 8-9.5) 1.26 4.5 -6.64 2 4 0 50 360.321 4
Mid Mid (pH 6-8) 1.26 4.15 -38.9 3 4 1 51 361.329 4
Lo Low (pH 4.5-6) 1.26 5.77 -118.16 4 4 2 52 362.337 4

Activity (Go SEA)

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