UCSF

ZINC37318488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 Yes

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) -0.97 0.42 -52.47 4 6 1 83 283.396 4
Mid Mid (pH 6-8) -0.97 1.59 -46.73 4 6 1 80 283.396 4

Activity (Go SEA)

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