UCSF

ZINC37835635

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.00 5.48 -44.89 0 5 -1 64 255.338 6
Mid Mid (pH 6-8) 1.00 7.69 -67.99 1 5 0 65 256.346 6
Lo Low (pH 4.5-6) 1.00 5.72 -44.92 2 5 1 62 257.354 6

Activity (Go SEA)

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