UCSF

ZINC35138401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 0.06 2.34 -46 3 5 1 72 203.262 8
Mid Mid (pH 6-8) 0.06 0.98 -9.56 2 5 0 67 202.254 8

Activity (Go SEA)

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