UCSF

ZINC36237389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.51 11.53 -87.33 3 4 2 38 334.467 2
Hi High (pH 8-9.5) 3.51 9.79 -10.33 1 4 0 33 332.451 2
Mid Mid (pH 6-8) 3.51 11.09 -55.05 2 4 1 37 333.459 2

Activity (Go SEA)

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