UCSF

ZINC25390576

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 35 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) 4.20 13.4 -45.02 2 6 1 63 492.665 10
Hi High (pH 8-9.5) 4.20 11.16 -12.52 1 6 0 62 491.657 10
Lo Low (pH 4.5-6) 4.20 15.72 -92.03 3 6 2 64 493.673 10

Activity (Go SEA)

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