UCSF

ZINC13551120

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

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) 3.81 8.38 -55.17 0 6 -1 73 474.364 7
Mid Mid (pH 6-8) 4.25 11.34 -53.17 2 6 1 71 476.38 6
Mid Mid (pH 6-8) 3.81 10.72 -70.46 1 6 0 74 475.372 7

Activity (Go SEA)

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