UCSF

ZINC05136516

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 29 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) 4.50 -2.28 -15.12 1 6 0 79 410.495 5
Hi High (pH 8-9.5) 4.50 -1.7 -59.48 0 6 -1 81 409.487 5

Activity (Go SEA)

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