UCSF

ZINC13553066

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 19 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) 1.57 2.53 -45.89 0 5 -1 75 255.253 2
Mid Mid (pH 6-8) 1.12 5.03 -9.74 1 5 0 72 256.261 2

Activity (Go SEA)

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