UCSF

ZINC36613670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 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) 2.16 6.69 -16.23 0 9 0 90 474.565 6
Mid Mid (pH 6-8) 2.16 8.91 -66.55 1 9 1 91 475.573 6

Activity (Go SEA)

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