UCSF

ZINC41661342

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.64 7.4 -8.45 0 6 0 61 405.45 2
Mid Mid (pH 6-8) 4.64 10.38 -46.04 1 6 1 62 406.458 2

Activity (Go SEA)

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