UCSF

ZINC35325266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 0.35 4.21 -47.77 0 5 -1 64 227.284 5
Mid Mid (pH 6-8) 0.35 6.56 -74.04 1 5 0 65 228.292 5
Lo Low (pH 4.5-6) 0.35 4.59 -46.09 2 5 1 62 229.3 5

Activity (Go SEA)

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