UCSF

ZINC36271993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.63 10.75 -44.07 3 5 1 51 364.517 5
Hi High (pH 8-9.5) 3.63 8.47 -9.58 2 5 0 50 363.509 5
Mid Mid (pH 6-8) 3.63 10.97 -77.61 4 5 2 52 365.525 5
Mid Mid (pH 6-8) 3.63 9.66 -38.17 3 5 1 51 364.517 5

Activity (Go SEA)

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