UCSF

ZINC36103551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.06 3.98 -9.16 0 5 0 50 342.436 4
Mid Mid (pH 6-8) 2.06 5.97 -46.53 1 5 1 51 343.444 4

Activity (Go SEA)

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