UCSF

ZINC32108280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

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) 0.62 6.74 -64.37 1 5 0 65 254.33 3
Hi High (pH 8-9.5) 0.62 4.53 -56.11 0 5 -1 64 253.322 3

Activity (Go SEA)

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