UCSF

ZINC36102898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.04 7.16 -42.56 2 5 1 50 328.436 6
Mid Mid (pH 6-8) 2.04 7.07 -41.82 2 5 1 50 328.436 6
Mid Mid (pH 6-8) 2.04 4.82 -9.13 1 5 0 49 327.428 6

Activity (Go SEA)

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