UCSF

ZINC18354724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2008 30 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) 4.37 12.09 -70.61 1 5 0 65 406.526 7
Hi High (pH 8-9.5) 4.37 9.54 -60.52 0 5 -1 64 405.518 7
Mid Mid (pH 6-8) 3.79 12.8 -57.32 1 5 1 59 407.534 7
Lo Low (pH 4.5-6) 4.37 11.26 -47.96 2 5 1 62 407.534 7

Activity (Go SEA)

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