UCSF

ZINC34325041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 27 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 1.35 -250.62 3 14 -3 221 464.202 8
Mid Mid (pH 6-8) -1.95 0.19 -136.48 4 14 -2 219 465.21 8

Activity (Go SEA)

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