UCSF

ZINC37856258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.10 -0.03 -99.06 0 5 -2 84 316.791 3
Mid Mid (pH 6-8) 3.10 -0.82 -43.3 1 5 -1 81 317.799 3
Mid Mid (pH 6-8) 3.10 -0.89 -13.21 2 5 0 79 318.807 3

Activity (Go SEA)

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