UCSF

ZINC41677705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.95 6.1 -45.29 0 5 -1 53 263.346 5
Mid Mid (pH 6-8) 1.22 5.67 -10.75 1 5 0 56 264.354 5

Activity (Go SEA)

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