UCSF

ZINC36110075

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) 2.30 5.19 -18.13 1 5 0 53 358.269 5
Mid Mid (pH 6-8) 2.30 7.42 -56.79 2 5 1 54 359.277 5

Activity (Go SEA)

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