UCSF

ZINC36151120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.18 7.48 -51.15 3 5 1 66 367.498 5
Hi High (pH 8-9.5) 2.18 6.19 -10.62 2 5 0 61 366.49 5
Mid Mid (pH 6-8) 2.18 9.77 -95.59 4 5 2 67 368.506 5

Activity (Go SEA)

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