UCSF

ZINC70518986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.81 3.76 -35.43 3 4 1 55 280.388 8
Hi High (pH 8-9.5) 2.81 2.94 -4.93 2 4 0 51 279.38 8

Activity (Go SEA)

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