UCSF

ZINC37272283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) -0.06 2.35 -53.92 4 6 1 80 263.321 3
Mid Mid (pH 6-8) -0.06 0.14 -18.23 3 6 0 79 262.313 3

Activity (Go SEA)

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