UCSF

ZINC70513180

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) 2.94 8.07 -113.83 4 3 2 41 292.467 8
Hi High (pH 8-9.5) 2.94 4.65 -3.06 2 3 0 35 290.451 8
Mid Mid (pH 6-8) 2.94 6.28 -33.6 3 3 1 40 291.459 8
Mid Mid (pH 6-8) 2.94 7.03 -31.21 3 3 1 37 291.459 8

Activity (Go SEA)

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