UCSF

ZINC36109862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 2.57 7.89 -9.01 1 5 0 53 365.477 6
Mid Mid (pH 6-8) 2.57 10.25 -46.21 2 5 1 54 366.485 6

Activity (Go SEA)

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