UCSF

ZINC19537489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 15 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) 2.06 6.6 -34.54 1 2 1 8 205.325 2
Mid Mid (pH 6-8) 2.06 6.47 -33.8 1 2 1 8 205.325 2
Mid Mid (pH 6-8) 2.06 4.13 -2.5 0 2 0 6 204.317 2

Activity (Go SEA)

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