UCSF

ZINC35036448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.40 7.91 -7.34 1 3 0 38 267.328 4
Mid Mid (pH 6-8) 3.40 8.94 -36.38 2 3 1 43 268.336 4

Activity (Go SEA)

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