UCSF

ZINC34440409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 34 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) 4.21 16.56 -51.04 3 7 1 72 460.581 8
Hi High (pH 8-9.5) 4.21 14.61 -16.38 2 7 0 71 459.573 8

Activity (Go SEA)

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