UCSF

ZINC41527424

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 0.97 3.86 -11.36 1 8 0 99 307.335 6
Hi High (pH 8-9.5) 1.04 2.25 -44.74 0 8 -1 105 306.327 6

Activity (Go SEA)

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