UCSF

ZINC70514879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.40 3.89 -24.52 3 5 1 59 303.467 12
Hi High (pH 8-9.5) 1.40 2.21 -2.39 2 5 0 54 302.459 12
Lo Low (pH 4.5-6) 1.40 4.56 -90.88 4 5 2 60 304.475 12

Activity (Go SEA)

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