UCSF

ZINC35623591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) -0.10 -2.25 -12.1 2 6 0 90 278.355 2
Mid Mid (pH 6-8) 0.35 -4.43 -42.59 1 6 -1 94 277.347 2

Activity (Go SEA)

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