UCSF

ZINC19799472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 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) 4.08 11.67 -38.81 2 3 1 28 387.547 6
Mid Mid (pH 6-8) 4.08 11.17 -36.22 2 3 1 28 387.547 6
Mid Mid (pH 6-8) 4.08 9.21 -5.64 1 3 0 27 386.539 6

Activity (Go SEA)

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