UCSF

ZINC32099465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 13 No

Download: MOL2 SDF SMILES Flexibase

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) 1.84 3.68 -27 4 3 1 52 174.227 1
Hi High (pH 8-9.5) 1.84 3.23 -8.99 3 3 0 51 173.219 1
Hi High (pH 8-9.5) 2.02 3.64 -28.77 4 3 1 56 174.227 0

Activity (Go SEA)

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