UCSF

ZINC36736665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.26 1.69 -10.3 4 5 0 87 306.749 4
Hi High (pH 8-9.5) 2.26 2.47 -44.04 3 5 -1 90 305.741 4

Activity (Go SEA)

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