UCSF

ZINC45914752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 19 No

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) 1.88 9.23 -51.08 1 6 1 77 267.305 8
Hi High (pH 8-9.5) 1.88 7.08 -8.81 0 6 0 75 266.297 8

Activity (Go SEA)

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