UCSF

ZINC36110262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 1.21 4.78 -18.18 1 5 0 53 303.406 6
Mid Mid (pH 6-8) 1.21 7 -58.44 2 5 1 54 304.414 6

Activity (Go SEA)

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