UCSF

ZINC09111013

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 4.21 11.12 -60.53 0 5 -1 70 412.465 7
Mid Mid (pH 6-8) 3.63 11.88 -11.9 0 5 0 64 413.473 7
Mid Mid (pH 6-8) 4.66 11.58 -18.25 1 5 0 67 413.473 6

Activity (Go SEA)

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