UCSF

ZINC36125808

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 2.58 8.02 -15.08 0 5 0 42 366.461 4
Mid Mid (pH 6-8) 2.58 10.17 -54.08 1 5 1 43 367.469 4

Activity (Go SEA)

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