UCSF

ZINC37171959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.14 8.96 -38.56 2 4 1 38 267.441 9
Hi High (pH 8-9.5) 3.14 7.59 -4.67 1 4 0 33 266.433 9
Mid Mid (pH 6-8) 3.14 9.09 -93.23 3 4 2 39 268.449 9

Activity (Go SEA)

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