UCSF

ZINC36125055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 2.88 8.97 -46.11 1 5 1 37 368.929 7
Mid Mid (pH 6-8) 2.88 11.05 -113.84 2 5 2 38 369.937 7
Mid Mid (pH 6-8) 2.88 8.59 -48.24 1 5 1 37 368.929 7

Activity (Go SEA)

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