UCSF

ZINC36022862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2009 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) 4.23 14.1 -13.03 3 11 0 144 412.385 7
Lo Low (pH 4.5-6) 4.23 14.32 -39.04 4 11 1 146 413.393 7

Activity (Go SEA)

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