UCSF

ZINC36766071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 4.14 6.81 -8.18 3 4 0 64 344.212 3
Lo Low (pH 4.5-6) 4.14 7.03 -30.4 4 4 1 65 345.22 3

Activity (Go SEA)

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