UCSF

ZINC37782510

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.40 8.24 -46.32 2 5 1 54 287.387 5
Hi High (pH 8-9.5) 1.40 6.93 -17.95 1 5 0 50 286.379 5
Mid Mid (pH 6-8) 1.40 7.37 -30.11 2 5 1 51 287.387 5
Mid Mid (pH 6-8) 1.40 8.68 -90.55 3 5 2 55 288.395 5

Activity (Go SEA)

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