UCSF

ZINC15018336

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 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) 6.91 15.29 -52.14 0 5 -1 74 427.505 4
Ref Reference (pH 7) 6.91 13.55 -52.99 0 5 -1 74 427.505 4
Lo Low (pH 4.5-6) 6.91 14.04 -55.41 1 5 0 76 428.513 4
Lo Low (pH 4.5-6) 6.91 15.63 -53.23 1 5 0 76 428.513 4

Activity (Go SEA)

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