UCSF

ZINC20605974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 3.35 9.18 -60.74 0 6 -1 79 457.3 6
Lo Low (pH 4.5-6) 3.35 8.35 -15.77 1 6 0 76 458.308 6

Activity (Go SEA)

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