UCSF

ZINC36132598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 1.17 5.29 -10.25 0 5 0 46 311.385 3
Mid Mid (pH 6-8) 1.17 7.17 -46.57 1 5 1 47 312.393 3

Activity (Go SEA)

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