UCSF

ZINC36190043

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.90 4.01 -41.42 3 4 1 51 276.404 4
Mid Mid (pH 6-8) 0.90 6.4 -100.32 4 4 2 52 277.412 4
Mid Mid (pH 6-8) 0.90 6.08 -43.57 3 4 1 51 276.404 4
Mid Mid (pH 6-8) 0.90 3.7 -7.19 2 4 0 50 275.396 4

Activity (Go SEA)

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