UCSF

ZINC13798858

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 No

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) -1.01 10.57 -29.82 1 3 1 27 303.385 3
Ref Reference (pH 7) -0.48 9.08 -27.42 1 3 1 28 303.385 3
Hi High (pH 8-9.5) -0.48 9.53 -30.17 0 3 0 31 302.377 3

Activity (Go SEA)

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