UCSF

ZINC34003616

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 20 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) 1.60 5.95 -56.39 3 5 0 86 282.384 5
Hi High (pH 8-9.5) 1.60 4.57 -49.75 2 5 -1 81 281.376 5
Lo Low (pH 4.5-6) 1.60 3.97 -40.9 4 5 1 83 283.392 5

Activity (Go SEA)

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