UCSF

ZINC19485342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 1.10 2.64 -35.22 4 3 1 55 192.286 5
Mid Mid (pH 6-8) 1.10 5.04 -107 5 3 2 56 193.294 5
Mid Mid (pH 6-8) -1.81 4.99 -30.63 5 3 1 56 192.286 5

Activity (Go SEA)

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