UCSF

ZINC70514815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 0.74 0.23 -36.2 4 5 1 70 283.392 10
Hi High (pH 8-9.5) 0.74 0.01 -4.41 3 5 0 68 282.384 10
Lo Low (pH 4.5-6) 0.74 1.87 -30.56 4 5 1 69 283.392 10

Activity (Go SEA)

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