UCSF

ZINC36103047

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) 3.06 7.4 -49.9 2 5 1 54 388.557 7
Mid Mid (pH 6-8) 3.06 7.35 -46.5 2 5 1 54 388.557 7
Mid Mid (pH 6-8) 3.06 5.13 -9.4 1 5 0 53 387.549 7

Activity (Go SEA)

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