UCSF

ZINC36103714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 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) 3.45 12.04 -47.12 1 4 1 28 392.567 5
Hi High (pH 8-9.5) 3.45 10.15 -9.23 0 4 0 27 391.559 5
Mid Mid (pH 6-8) 3.45 12.4 -46.35 1 4 1 28 392.567 5

Activity (Go SEA)

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