UCSF

ZINC12810993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 26 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) 2.59 9.31 -46.69 2 6 1 59 359.425 5
Mid Mid (pH 6-8) 2.77 4.3 -7.45 1 6 0 61 358.417 5
Mid Mid (pH 6-8) 2.59 5.74 -15.11 1 6 0 58 358.417 5
Lo Low (pH 4.5-6) 2.59 9.66 -102.81 3 6 2 60 360.433 5

Activity (Go SEA)

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