UCSF

ZINC19204056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 3.01 3.55 -2.94 0 4 0 25 284.444 8
Mid Mid (pH 6-8) 3.01 6.19 -36.5 1 4 1 26 285.452 8
Mid Mid (pH 6-8) 3.01 6.15 -34.53 1 4 1 26 285.452 8

Activity (Go SEA)

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