UCSF

ZINC36724079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.18 3.51 -40.32 3 5 1 71 315.459 9
Hi High (pH 8-9.5) 2.18 4.28 -66.23 2 5 0 74 314.451 9

Activity (Go SEA)

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