UCSF

ZINC25185631

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 35 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) 1.47 7.93 -30.95 1 10 0 120 472.457 7
Lo Low (pH 4.5-6) 1.47 8.37 -78.16 2 10 1 121 473.465 7

Activity (Go SEA)

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