UCSF

ZINC00369442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 0.27 -5.91 -10.76 4 8 0 110 266.305 4
Mid Mid (pH 6-8) -3.47 -5.63 -37.95 5 8 1 112 267.313 4

Activity (Go SEA)

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