UCSF

ZINC19357053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 31 Yes

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) 3.98 12.28 -44.14 4 7 1 88 412.473 2
Mid Mid (pH 6-8) 3.98 11.26 -17.62 3 7 0 87 411.465 2
Lo Low (pH 4.5-6) 3.98 12.68 -113.69 5 7 2 90 413.481 2

Activity (Go SEA)

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