UCSF

ZINC36270433

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.03 10.19 -28.11 3 7 1 77 366.493 4
Mid Mid (pH 6-8) 3.03 9.76 -12.38 2 7 0 76 365.485 4
Mid Mid (pH 6-8) 3.03 11.18 -42.9 3 7 1 77 366.493 4
Mid Mid (pH 6-8) 3.03 11.59 -91.13 4 7 2 78 367.501 4

Activity (Go SEA)

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